Basic information
- CAS
848469-29-4- Standard SMILES
C[C@@H](c1ncnc(Cl)c1F)[C@](O)(Cn1cnc(Cl)n1)c1ccc(F)cc1F.Cl- InChIKey
VTOATALLNGPGSU-AXXYFNQRSA-N- Molecular formula
- C16H13Cl3F3N5O
- Average molar mass
- 454.7 g/mol
- Monoisotopic mass
- 453.013778
Names & identifiers
- Preferred name
- (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol;hydrochloride
- IUPAC
- (2R,3S)-3-(6-chloro-5-fluoropyrimidin-4-yl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)butan-2-ol;hydrochloride
- English name
- 3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
- Molecular formula
- C16H12Cl2F3N5O.ClH
- Molecular weight
- 454.66
Names & synonyms
AKOS025401487AC-19913-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-ifluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-butan-2-ol3-(6-chloro-5-fluoro-4-pyrimidinyl)-1-(3-chloro-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-2-butanol hydrochloride(R*,S*)-3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(3-chloro-1H-1,2,4-triazol-1-yl)butan-2-ol hydrochlorideFAVORITES COMPARE 3-(6-CHLORO-5-FLUOROPYRIMIDIN-4-YL)-2-(2,4-DIFLUOROPHENYL)-1-(1H-1,2,4-TRIAZOL-1-YL)BUTAN-2-OL CAS 848469-29-46-Chloro-a-[(3-chloro-1H-1,2,4-triazol-1-yl)methyl]-a-(2,4-difluorophenyl)-5-fluoro-beta-methyl-4-pyrimidineethanol hydrochloride4-Pyrimidineethanol,6-chloro-α-[(3-chloro-1H-1,2,4-triazol-1-yl)methyl]-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-, hydrochloride (1:1), (αR,βS)-rel-
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 513
Chemistry & industry
Suppliers14 total
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
上海赢瑞生物医药科技有限公司+86-21-33585366 - 03@ · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
AFINE CHEMICALS LIMITED
Related reactions
0 records
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Compound notes
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