N-Desmethyl-N(4)-desoxychlordiazepoxide
TL;DR: N-Desmethyl-N(4)-desoxychlordiazepoxide (CAS 7564-07-0) is a chemical compound with molecular formula C15H12ClN3 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-amine
Also Known As: Desmethyldesoxychlordiazepoxide, Diazepoxide M (nor-desoxo), N-Desmethyl-N(4)-desoxychlordiazepoxide, 7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-amine, 3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-
| Molecular Formula | C15H12ClN3 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.07196 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 7564-07-0 |
|---|---|
| SMILES | C1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)N |
| InChIKey | UMBZDAJGYNJMGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethyl-N(4)-desoxychlordiazepoxide (CAS 7564-07-0), with molecular formula C15H12ClN3 and molecular weight 269.07 g/mol. IUPAC: 7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-amine.
Chemical Property Profile of N-Desmethyl-N(4)-desoxychlordiazepoxide
Property Insights of N-Desmethyl-N(4)-desoxychlordiazepoxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethyl-N(4)-desoxychlordiazepoxide. With a topological polar surface area (TPSA) of 50.7 Ų, N-Desmethyl-N(4)-desoxychlordiazepoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethyl-N(4)-desoxychlordiazepoxide has 1 hydrogen bond donor(s) and 2 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-Desmethyl-N(4)-desoxychlordiazepoxide?
The CAS number of N-Desmethyl-N(4)-desoxychlordiazepoxide is 7564-07-0.
What is the molecular formula of N-Desmethyl-N(4)-desoxychlordiazepoxide?
The molecular formula of N-Desmethyl-N(4)-desoxychlordiazepoxide is C15H12ClN3.
What is the molecular weight of N-Desmethyl-N(4)-desoxychlordiazepoxide?
The molecular weight of N-Desmethyl-N(4)-desoxychlordiazepoxide is 269.07 g/mol.
Where can I buy N-Desmethyl-N(4)-desoxychlordiazepoxide?
You can request a quote for N-Desmethyl-N(4)-desoxychlordiazepoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethyl-N(4)-desoxychlordiazepoxide?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethyl-N(4)-desoxychlordiazepoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.