1,4-Benzodiazp2-ON,1-ET-5-PH-7CL
TL;DR: 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL (CAS 5571-65-3) is a chemical compound with molecular formula C17H15ClN2O and molecular weight 298.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: N-Ethylnordiazepam, N-Desmethyl-N-ethyl Diazepam, N- Ethylnordiazepam, 1,4-Benzodiazepin-2(1H,3H)-one, 7-chloro-1-ethyl-5-phenyl-, 1,4-BENZODIAZP2-ON,1-ET-5-PH-7CL
| Molecular Formula | C17H15ClN2O |
|---|---|
| Molecular Weight | 298.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.08728 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 5571-65-3 |
|---|---|
| SMILES | CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3 |
| InChIKey | PMOYAPWQLZTKJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzodiazp2-ON,1-ET-5-PH-7CL (CAS 5571-65-3), with molecular formula C17H15ClN2O and molecular weight 298.09 g/mol. IUPAC: 7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL
Property Insights of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL
The XLogP value of 3.2 indicates that 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL has 0 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 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL?
The CAS number of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL is 5571-65-3.
What is the molecular formula of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL?
The molecular formula of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL is C17H15ClN2O.
What is the molecular weight of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL?
The molecular weight of 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL is 298.09 g/mol.
Where can I buy 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL?
You can request a quote for 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodiazp2-ON,1-ET-5-PH-7CL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.