2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one
TL;DR: 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one (CAS 3158-76-7) is a chemical compound with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5H-benzo[b][1,4]benzoxazepin-6-one
Also Known As: Tox21_113919, 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one, dibenz[b,f][1,4]oxazepin-11(10h)-one, 8-chloro-, 8-chlorodibenzo[b,f][1,4]oxazepin-11(10H)-one, CAS-3158-91-6
| Molecular Formula | C13H8ClNO2 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.02435 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 3158-76-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC3=C(O2)C=CC(=C3)Cl |
| InChIKey | CQTGCCLTIDNYHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one (CAS 3158-76-7), with molecular formula C13H8ClNO2 and molecular weight 245.02 g/mol. IUPAC: 3-chloro-5H-benzo[b][1,4]benzoxazepin-6-one.
Chemical Property Profile of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one
Property Insights of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one
The XLogP value of 3.0 indicates that 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one has 1 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 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one?
The CAS number of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one is 3158-76-7.
What is the molecular formula of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one?
The molecular formula of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one is C13H8ClNO2.
What is the molecular weight of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one?
The molecular weight of 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one is 245.02 g/mol.
Where can I buy 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one?
You can request a quote for 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorodibenz(b,f)-1,4-oxazepin-11(10H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.