1-Demethyl-4,5-dihydrodiazepam
TL;DR: 1-Demethyl-4,5-dihydrodiazepam (CAS 1824-69-7) is a chemical compound with molecular formula C15H13ClN2O and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Also Known As: 1-Demethyl-4,5-dihydrodiazepam, Ro 5-2181, 7-Chloro-1,3,4,5-tetrahydro-5-phenyl-2H-1,4-benzodiazepin-2-one, Ro-5-2181, 5-24-04-00149 (Beilstein Handbook Reference)
| Molecular Formula | C15H13ClN2O |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.07166 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 1824-69-7 |
|---|---|
| SMILES | C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1)C3=CC=CC=C3 |
| InChIKey | GYQOYYFIHYKFEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Demethyl-4,5-dihydrodiazepam (CAS 1824-69-7), with molecular formula C15H13ClN2O and molecular weight 272.07 g/mol. IUPAC: 7-chloro-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 1-Demethyl-4,5-dihydrodiazepam
Property Insights of 1-Demethyl-4,5-dihydrodiazepam
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Demethyl-4,5-dihydrodiazepam. With a topological polar surface area (TPSA) of 41.1 Ų, 1-Demethyl-4,5-dihydrodiazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Demethyl-4,5-dihydrodiazepam has 2 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 1-Demethyl-4,5-dihydrodiazepam?
The CAS number of 1-Demethyl-4,5-dihydrodiazepam is 1824-69-7.
What is the molecular formula of 1-Demethyl-4,5-dihydrodiazepam?
The molecular formula of 1-Demethyl-4,5-dihydrodiazepam is C15H13ClN2O.
What is the molecular weight of 1-Demethyl-4,5-dihydrodiazepam?
The molecular weight of 1-Demethyl-4,5-dihydrodiazepam is 272.07 g/mol.
Where can I buy 1-Demethyl-4,5-dihydrodiazepam?
You can request a quote for 1-Demethyl-4,5-dihydrodiazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Demethyl-4,5-dihydrodiazepam?
Yes, KEHONG BIO provides custom synthesis services for 1-Demethyl-4,5-dihydrodiazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.