3-O-Ethyloxazepam
TL;DR: 3-O-Ethyloxazepam (CAS 4951-07-9) is a chemical compound with molecular formula C17H15ClN2O2 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-ethoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 3-O-Ethyloxazepam, 3-Etox, Nordazepam 3-ethoxy-, 2H-1,4-Benzodiazepin-2-one, 7-chloro-3-ethoxy-1,3-dihydro-5-phenyl-, 7-chloro-3-ethoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
| Molecular Formula | C17H15ClN2O2 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0822 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 4951-07-9 |
|---|---|
| SMILES | CCOC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3 |
| InChIKey | YWSOBIMUIPVQQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-O-Ethyloxazepam (CAS 4951-07-9), with molecular formula C17H15ClN2O2 and molecular weight 314.08 g/mol. IUPAC: 7-chloro-3-ethoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 3-O-Ethyloxazepam
Property Insights of 3-O-Ethyloxazepam
The XLogP value of 3.3 indicates that 3-O-Ethyloxazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, 3-O-Ethyloxazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-O-Ethyloxazepam 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 3-O-Ethyloxazepam?
The CAS number of 3-O-Ethyloxazepam is 4951-07-9.
What is the molecular formula of 3-O-Ethyloxazepam?
The molecular formula of 3-O-Ethyloxazepam is C17H15ClN2O2.
What is the molecular weight of 3-O-Ethyloxazepam?
The molecular weight of 3-O-Ethyloxazepam is 314.08 g/mol.
Where can I buy 3-O-Ethyloxazepam?
You can request a quote for 3-O-Ethyloxazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Ethyloxazepam?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Ethyloxazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.