4'-Hydroxydiazepam
TL;DR: 4'-Hydroxydiazepam (CAS 17311-35-2) is a chemical compound with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(4-hydroxyphenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
Also Known As: 4'-Hydroxydiazepam, p-Hydroxydiazepam, 4-hydroxydiazepam, p-Hydroxy Diazepam, Temazepam Impurity 8
| Molecular Formula | C16H13ClN2O2 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.06656 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 17311-35-2 |
|---|---|
| SMILES | CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)O |
| InChIKey | IQFWLIWUKIFGKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Hydroxydiazepam (CAS 17311-35-2), with molecular formula C16H13ClN2O2 and molecular weight 300.07 g/mol. IUPAC: 7-chloro-5-(4-hydroxyphenyl)-1-methyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 4'-Hydroxydiazepam
Property Insights of 4'-Hydroxydiazepam
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Hydroxydiazepam. With a topological polar surface area (TPSA) of 52.9 Ų, 4'-Hydroxydiazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Hydroxydiazepam has 1 hydrogen bond donor(s) and 3 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 4'-Hydroxydiazepam?
The CAS number of 4'-Hydroxydiazepam is 17311-35-2.
What is the molecular formula of 4'-Hydroxydiazepam?
The molecular formula of 4'-Hydroxydiazepam is C16H13ClN2O2.
What is the molecular weight of 4'-Hydroxydiazepam?
The molecular weight of 4'-Hydroxydiazepam is 300.07 g/mol.
Where can I buy 4'-Hydroxydiazepam?
You can request a quote for 4'-Hydroxydiazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Hydroxydiazepam?
Yes, KEHONG BIO provides custom synthesis services for 4'-Hydroxydiazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.