7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine
TL;DR: 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine (CAS 31269-33-7) is a chemical compound with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine
Also Known As: Diazepam Impurity F, 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine, Diazepam EP Impurity F, Diazepam impurity F [EP], Diazepam BP Impurity F
| Molecular Formula | C16H13ClN2O |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07166 |
| Heavy Atoms | 20 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 31269-33-7 |
|---|---|
| SMILES | COC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3 |
| InChIKey | FHGUFGWOUJMMFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine (CAS 31269-33-7), with molecular formula C16H13ClN2O and molecular weight 284.07 g/mol. IUPAC: 7-chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine.
Chemical Property Profile of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine
Property Insights of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine
The XLogP value of 3.7 indicates that 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.0 Ų, 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine has 0 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 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine?
The CAS number of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine is 31269-33-7.
What is the molecular formula of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine?
The molecular formula of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine is C16H13ClN2O.
What is the molecular weight of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine?
The molecular weight of 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine is 284.07 g/mol.
Where can I buy 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine?
You can request a quote for 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.