沙马西尼
TL;DR: 沙马西尼 (CAS 78771-13-8) is a chemical compound with molecular formula C15H14ClN3O3 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
沙马西尼
ethyl 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Also Known As: Sarmazenil, Sarmazenilum, Sarmazol, sarmazenil[inn], Sarmazenil [INN]
| Molecular Formula | C15H14ClN3O3 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.07236 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 78771-13-8 |
|---|---|
| SMILES | CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC=C3Cl)C |
| InChIKey | WSDBAFQWNWJTNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
沙马西尼 (CAS 78771-13-8), with molecular formula C15H14ClN3O3 and molecular weight 319.07 g/mol. IUPAC: ethyl 7-chloro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
Chemical Property Profile of 沙马西尼
Property Insights of 沙马西尼
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 沙马西尼. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 沙马西尼. Following Lipinski's Rule of Five, 沙马西尼 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 沙马西尼?
The CAS number of 沙马西尼 is 78771-13-8.
What is the molecular formula of 沙马西尼?
The molecular formula of 沙马西尼 is C15H14ClN3O3.
What is the molecular weight of 沙马西尼?
The molecular weight of 沙马西尼 is 319.07 g/mol.
Where can I buy 沙马西尼?
You can request a quote for 沙马西尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 沙马西尼?
Yes, KEHONG BIO provides custom synthesis services for 沙马西尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.