China (Mainland)
Albaconazole CAS NO.187949-02-6
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Keywords
- UR 9825
- (1R,2R)-7-Chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]quinazolin-4(3H)-one
- (1R,2R)-7-Chloro-3-[2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]quinazolin-4(3H)-one
Quick Details
- ProName: Albaconazole
- CasNo: 187949-02-6
- Application: CAS register number of Albaconazole i...
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- Purity: 99
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Superiority
CAS register number of Albaconazole is 187949-02-6. It also can be called as 4(3H)-Quinazolinone,7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]- and the IUPAC name about this chemical is 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one. The molecular formula about this chemical is C20H16ClF2N5O2 and molecular weight is 431.82. This chemical is an antifungal agent as neuroprotectant. Classification code about this chemical are Antifungal and Treatment of fungal infections.
Physical properties about Albaconazole are: (1)ACD/LogP: 3.00; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 72.61Å2; (6)Index of Refraction: 1.666; (7)Molar Refractivity: 107.99 cm3; (8)Molar Volume: 290.1 cm3; (9)Polarizability: 42.81x10-24cm3; (10)Surface Tension: 52.9 dyne/cm; (11)Enthalpy of Vaporization: 101.9 kJ/mol; (12)Boiling Point: 658.9 °C at 760 mmHg; (13)Vapour Pressure: 2.94E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(c(F)c1)[C@](O)([C@H](N3\C=N/c2cc(Cl)ccc2C3=O)C)Cn4ncnc4
(2)InChI: InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
(3)InChIKey: UHIXWHUVLCAJQL-MPBGBICIBS
(4)Std. InChI: InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
(5)Std. InChIKey: UHIXWHUVLCAJQL-MPBGBICISA-N
Details
CAS register number of Albaconazole is 187949-02-6. It also can be called as 4(3H)-Quinazolinone,7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]- and the IUPAC name about this chemical is 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one. The molecular formula about this chemical is C20H16ClF2N5O2 and molecular weight is 431.82. This chemical is an antifungal agent as neuroprotectant. Classification code about this chemical are Antifungal and Treatment of fungal infections.
Physical properties about Albaconazole are: (1)ACD/LogP: 3.00; (2)#H bond acceptors: 7; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 72.61Å2; (6)Index of Refraction: 1.666; (7)Molar Refractivity: 107.99 cm3; (8)Molar Volume: 290.1 cm3; (9)Polarizability: 42.81x10-24cm3; (10)Surface Tension: 52.9 dyne/cm; (11)Enthalpy of Vaporization: 101.9 kJ/mol; (12)Boiling Point: 658.9 °C at 760 mmHg; (13)Vapour Pressure: 2.94E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(c(F)c1)[C@](O)([C@H](N3\C=N/c2cc(Cl)ccc2C3=O)C)Cn4ncnc4
(2)InChI: InChI=1/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
(3)InChIKey: UHIXWHUVLCAJQL-MPBGBICIBS
(4)Std. InChI: InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
(5)Std. InChIKey: UHIXWHUVLCAJQL-MPBGBICISA-N