Basic information
- CAS
2415967-06-3- Standard SMILES
C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)OC(C)(C)C- InChIKey
XFORCNZKSQSJBX-LBPRGKRZSA-N- Molecular formula
- C18H21ClN4O2
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.1353036
Names & identifiers
- Preferred name
- tert-Butyl (S)-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]carbamate
- English name
- Carbamic acid, N-?[(1S)?-?2-?[3-?(3-?chloro-?4-?cyanophenyl)?-?1H-?pyrazol-?1-?yl]?-?1-?methylethyl]?-?, 1,?1-?dimethylethyl ester
- Molecular formula
- C18H21ClN4O2
- Molecular weight
- 360.84
Names & synonyms
2415967-06-3tert-Butyl (S)-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl)propan-2-yl)carbamateL894WCS6BNSCHEMBL314666781,1-Dimethylethyl N-[(1S)-2-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-1-methylethyl]carbamateCarbamic acid, N-[(1S)-2-[3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-yl]-1-methylethyl]-, 1,1-dimethylethyl esterDarolutamide Impurity 3Darolutamide ImpurityDantrolene Impurity 10Darolutamide Pyrazole Butyl Impurity
Database identifiers
- CAS
2415967-06-3- PubChem CID
- 149205774
- UNII
- L894WCS6BN
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Physicochemical properties
- Boiling point
- 538.4 · 538.4±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 12.08 · 12.08±0.46(Predicted)
- FDA UNII
- 894 WCS6BN · L894WCS6BN
Chemistry & industry
Suppliers15 total
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州九植医药科技有限公司020-89854820 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
深圳市洛克医药科技有限公司13128912434 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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