西那西泮
TL;DR: 西那西泮 (CAS 172986-25-3) is a chemical compound with molecular formula C19H14BrClN2O5 and molecular weight 463.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西那西泮
4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
Also Known As: CINAZEPAM, Nalobrazepam, Cinazepam [WHO-DD], nalobrazepam [INN], ChemDiv2_000295
| Molecular Formula | C19H14BrClN2O5 |
|---|---|
| Molecular Weight | 463.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.97745 |
| Heavy Atoms | 28 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 172986-25-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Br)OC(=O)CCC(=O)O)Cl |
| InChIKey | NQTRBZXDWMDXAQ-UHFFFAOYSA-N |
Product Overview
西那西泮 (CAS 172986-25-3), with molecular formula C19H14BrClN2O5 and molecular weight 463.98 g/mol. IUPAC: 4-[[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 西那西泮
Property Insights of 西那西泮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 西那西泮. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 西那西泮. Following Lipinski's Rule of Five, 西那西泮 has 2 hydrogen bond donor(s) and 6 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 西那西泮?
The CAS number of 西那西泮 is 172986-25-3.
What is the molecular formula of 西那西泮?
The molecular formula of 西那西泮 is C19H14BrClN2O5.
What is the molecular weight of 西那西泮?
The molecular weight of 西那西泮 is 463.98 g/mol.
Where can I buy 西那西泮?
You can request a quote for 西那西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 西那西泮?
Yes, KEHONG BIO provides custom synthesis services for 西那西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.