Desmethylmedazepam
TL;DR: Desmethylmedazepam (CAS 1694-78-6) is a chemical compound with molecular formula C15H13ClN2 and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine
Also Known As: Desmethylmedazepam, Normedazepam, N-Desmethylmedazepam, N-Desmethyl-medazepam, Ro 5-2925
| Molecular Formula | C15H13ClN2 |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.07672 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 1694-78-6 |
|---|---|
| SMILES | C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 |
| InChIKey | JZWOKDTXYPEJEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Desmethylmedazepam (CAS 1694-78-6), with molecular formula C15H13ClN2 and molecular weight 256.08 g/mol. IUPAC: 7-chloro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine.
Chemical Property Profile of Desmethylmedazepam
Property Insights of Desmethylmedazepam
The XLogP value of 4.3 indicates that Desmethylmedazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, Desmethylmedazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desmethylmedazepam 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 Desmethylmedazepam?
The CAS number of Desmethylmedazepam is 1694-78-6.
What is the molecular formula of Desmethylmedazepam?
The molecular formula of Desmethylmedazepam is C15H13ClN2.
What is the molecular weight of Desmethylmedazepam?
The molecular weight of Desmethylmedazepam is 256.08 g/mol.
Where can I buy Desmethylmedazepam?
You can request a quote for Desmethylmedazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desmethylmedazepam?
Yes, KEHONG BIO provides custom synthesis services for Desmethylmedazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.