7-Chloro-2H-1,4-benzothiazin-3(4H)-one
TL;DR: 7-Chloro-2H-1,4-benzothiazin-3(4H)-one (CAS 7702-11-6) is a chemical compound with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-4H-1,4-benzothiazin-3-one
Also Known As: 7-Chloro-2H-1,4-benzothiazin-3(4H)-one, ACETONITRILE, 7-chloro-4H-1,4-benzothiazin-3-one, 7-chloro-2H-benzo[b][1,4]thiazin-3(4H)-one, NCIOpen2_000117
| Molecular Formula | C8H6ClNOS |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.98586 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 7702-11-6 |
|---|---|
| SMILES | C1C(=O)NC2=C(S1)C=C(C=C2)Cl |
| InChIKey | JNPOLSNJHCFNCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-2H-1,4-benzothiazin-3(4H)-one (CAS 7702-11-6), with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol. IUPAC: 7-chloro-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one
Property Insights of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-2H-1,4-benzothiazin-3(4H)-one. With a topological polar surface area (TPSA) of 54.4 Ų, 7-Chloro-2H-1,4-benzothiazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-2H-1,4-benzothiazin-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 7-Chloro-2H-1,4-benzothiazin-3(4H)-one?
The CAS number of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one is 7702-11-6.
What is the molecular formula of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one?
The molecular formula of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one is C8H6ClNOS.
What is the molecular weight of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one?
The molecular weight of 7-Chloro-2H-1,4-benzothiazin-3(4H)-one is 198.99 g/mol.
Where can I buy 7-Chloro-2H-1,4-benzothiazin-3(4H)-one?
You can request a quote for 7-Chloro-2H-1,4-benzothiazin-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 7-Chloro-2H-1,4-benzothiazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-2H-1,4-benzothiazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.