N-Nitrosochlordiazepoxide
TL;DR: N-Nitrosochlordiazepoxide (CAS 51715-17-4) is a chemical compound with molecular formula C16H13ClN4O2 and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide
Also Known As: N-Nitrosochlordiazepoxide, Nitrosochlordiazepoxide, N-Nitrosochlorodiazepoxide, NO-CDE, 2-N-nitrosochlordiazepoxide
| Molecular Formula | C16H13ClN4O2 |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.0727 |
| Heavy Atoms | 23 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 51715-17-4 |
|---|---|
| SMILES | CN(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3)N=O |
| InChIKey | VGNMVQBFGJATJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nitrosochlordiazepoxide (CAS 51715-17-4), with molecular formula C16H13ClN4O2 and molecular weight 328.07 g/mol. IUPAC: N-(7-chloro-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)-N-methylnitrous amide.
Chemical Property Profile of N-Nitrosochlordiazepoxide
Property Insights of N-Nitrosochlordiazepoxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitrosochlordiazepoxide. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitrosochlordiazepoxide. Following Lipinski's Rule of Five, N-Nitrosochlordiazepoxide 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 N-Nitrosochlordiazepoxide?
The CAS number of N-Nitrosochlordiazepoxide is 51715-17-4.
What is the molecular formula of N-Nitrosochlordiazepoxide?
The molecular formula of N-Nitrosochlordiazepoxide is C16H13ClN4O2.
What is the molecular weight of N-Nitrosochlordiazepoxide?
The molecular weight of N-Nitrosochlordiazepoxide is 328.07 g/mol.
Where can I buy N-Nitrosochlordiazepoxide?
You can request a quote for N-Nitrosochlordiazepoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitrosochlordiazepoxide?
Yes, KEHONG BIO provides custom synthesis services for N-Nitrosochlordiazepoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.