3-Dehydroxy-3-oxo-4,5-dihydro oxazepam
TL;DR: 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam (CAS 19554-95-1) is a chemical compound with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-phenyl-4,5-dihydro-1H-1,4-benzodiazepine-2,3-dione
Also Known As: Oxazepam related compound A, 3-Dehydroxy-3-oxo-4,5-dihydro Oxazepam, Oxazepam EP Impurity A, Oxazepam related compound A [USP], Oxazepam specified impurity A [EP]
| Molecular Formula | C15H11ClN2O2 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 2.4977 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.0509 |
| Heavy Atoms | 20 |
| Complexity | 685.5278 |
Chemical Identifiers
| CAS Number | 19554-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=O)C(=O)N2 |
Product Overview
3-Dehydroxy-3-oxo-4,5-dihydro oxazepam (CAS 19554-95-1), with molecular formula C15H11ClN2O2 and molecular weight 286.05 g/mol. IUPAC: 7-chloro-5-phenyl-4,5-dihydro-1H-1,4-benzodiazepine-2,3-dione.
Chemical Property Profile of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam
Property Insights of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam
The XLogP value of 2.4977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam. With a topological polar surface area (TPSA) of 58.2 Ų, 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam 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 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam?
The CAS number of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam is 19554-95-1.
What is the molecular formula of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam?
The molecular formula of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam is C15H11ClN2O2.
What is the molecular weight of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam?
The molecular weight of 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam is 286.05 g/mol.
Where can I buy 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam?
You can request a quote for 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam?
Yes, KEHONG BIO provides custom synthesis services for 3-Dehydroxy-3-oxo-4,5-dihydro oxazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.