6-Chloro-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-Chloro-2H-1,4-benzoxazin-3(4H)-one (CAS 7652-29-1) is a chemical compound with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4H-1,4-benzoxazin-3-one
Also Known As: 6-Chloro-2H-1,4-benzoxazin-3(4H)-one, 6-chloro-2h-benzo[b][1,4]oxazin-3(4h)-one, chlorobenzoxazinone, 6-chloro-4H-1,4-benzoxazin-3-one, 1-Hexanol
| Molecular Formula | C8H6ClNO2 |
|---|---|
| Molecular Weight | 183.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.00871 |
| Heavy Atoms | 12 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 7652-29-1 |
|---|---|
| SMILES | C1C(=O)NC2=C(O1)C=CC(=C2)Cl |
| InChIKey | OBPIPKQQNRACHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chloro-2H-1,4-benzoxazin-3(4H)-one (CAS 7652-29-1), with molecular formula C8H6ClNO2 and molecular weight 183.01 g/mol. IUPAC: 6-chloro-4H-1,4-benzoxazin-3-one.
Chemical Property Profile of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 38.3 Ų, 6-Chloro-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2H-1,4-benzoxazin-3(4H)-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 6-Chloro-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one is 7652-29-1.
What is the molecular formula of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one is C8H6ClNO2.
What is the molecular weight of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-Chloro-2H-1,4-benzoxazin-3(4H)-one is 183.01 g/mol.
Where can I buy 6-Chloro-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-Chloro-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.