2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)- (CAS 1256387-74-2) — formula C18H22BrN3O2, molecular weight 392.3; category pharmaceutical intermediates and APIs.
| CAS Number | 1256387-74-2 |
|---|---|
| Molecular Formula | C18H22BrN3O2 |
| Molecular Weight | 392.3 |
| LogP | 3.9 |
| Category | Pharmaceutical Intermediates |
2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)- is a pharmaceutical intermediate or API compound with CAS registry number 1256387-74-2 and molecular formula C18H22BrN3O2 (molecular weight 392.3), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 1256387-74-2
Its molecular formula C18H22BrN3O2 comprises 18 C, 22 H, 1 Br, 3 N, 2 O atoms.
Also known as: 2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)- · 2-氮杂双环(2.2.1)庚烷-2-甲酸，3-(6-溴-1H-苯并咪唑-2-基)-，1,1-二甲基乙酯，(1R,3S,4S)-
Category: pharmaceutical intermediates and APIs
The CAS registry number of 2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)- is 1256387-74-2.
Molecular formula C18H22BrN3O2, molecular weight 392.3.
It is also registered under: 2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)-, 2-氮杂双环(2.2.1)庚烷-2-甲酸，3-(6-溴-1H-苯并咪唑-2-基)-，1,1-二甲基乙酯，(1R,3S,4S)-.
Category: Pharmaceutical Intermediates.
Independent reference data for 2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)- (CAS 1256387-74-2), compiled from public chemistry databases.
| CAS Registry Number | 1256387-74-2 |
|---|---|
| PubChem CID | 67505868 |
| Molecular formula | C18H22BrN3O2 |
| IUPAC name | tert-butyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| Molecular Weight | 392.3 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 391.08954 |
| Monoisotopic Mass | 391.08954 |
| Topological Polar Surface Area | 58.2 |
| Heavy Atom Count | 24 |
tert-butyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate; EC 800-428-5; Tert-butyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo(2.2.1)heptane-2-carboxylate; RefChem:465390; 800-428-5; 1256387-74-2; (1R,3S,4S)-tert-butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate; MFCD28386937; C18H22BrN3O2; tert-butyl (1R,3S,4S)-3-(6-broMo-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate; tert-butyl (1R,3S,4S)-3-(6-bromo-1H-1,3-benzodiazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate; 1,1-Dimethylethyl (1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate; IODPTNKFQCJTSI-NVBFEUDRSA-N; tert-butyl (1S,2S,4R)-2-(6-bromo-1H-benzimidazol-2-yl)-3-azabicyclo[2.2.1]heptane-3-carboxylate; Ledipasvir interMediates; Ledipasvir side chain 2
| Reported hazard statements | H302 (80%), H371 (20%) |
|---|
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
H371 (20%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
2-Azabicyclo(2.2.1)heptane-2-carboxylic acid, 3-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethylethyl ester, (1R,3S,4S)- · CAS 1256387-74-2 · C18H22BrN3O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-氮杂双环(2.2.1)庚烷-2-甲酸，3-(6-溴-1H-苯并咪唑-2-基)-，1,1-二甲基乙酯，(1R,3S,4S)-