![2-Chloro-benzo[e][1,3]thiazin-4-one structure](/static/products/7742/7742-71-4.webp)
2-Chloro-benzo[e][1,3]thiazin-4-one
TL;DR: 2-Chloro-benzo[e][1,3]thiazin-4-one (CAS 7742-71-4) is a chemical compound with molecular formula C8H4ClNOS and molecular weight 196.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,3-benzothiazin-4-one
Also Known As: 2-Chloro-benzo[e][1,3]thiazin-4-one, 2-chloro-1,3-benzothiazin-4-one, 2-chloro-4H-1,3-benzothiazin-4-one, tert-Butyl chloroacetate, 2-Chloro-4H-benzo[e][1,3]thiazin-4-one
| Molecular Formula | C8H4ClNOS |
|---|---|
| Molecular Weight | 196.97 g/mol |
| LogP | 2.3099 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.97021 |
| Heavy Atoms | 12 |
| Complexity | 479.6867 |
Chemical Identifiers
| CAS Number | 7742-71-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N=C(S2)Cl |
Product Overview
2-Chloro-benzo[e][1,3]thiazin-4-one (CAS 7742-71-4), with molecular formula C8H4ClNOS and molecular weight 196.97 g/mol. IUPAC: 2-chloro-1,3-benzothiazin-4-one.
Chemical Property Profile of 2-Chloro-benzo[e][1,3]thiazin-4-one
Property Insights of 2-Chloro-benzo[e][1,3]thiazin-4-one
The XLogP value of 2.3099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-benzo[e][1,3]thiazin-4-one. With a topological polar surface area (TPSA) of 29.96 Ų, 2-Chloro-benzo[e][1,3]thiazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-benzo[e][1,3]thiazin-4-one has 0 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 2-Chloro-benzo[e][1,3]thiazin-4-one?
The CAS number of 2-Chloro-benzo[e][1,3]thiazin-4-one is 7742-71-4.
What is the molecular formula of 2-Chloro-benzo[e][1,3]thiazin-4-one?
The molecular formula of 2-Chloro-benzo[e][1,3]thiazin-4-one is C8H4ClNOS.
What is the molecular weight of 2-Chloro-benzo[e][1,3]thiazin-4-one?
The molecular weight of 2-Chloro-benzo[e][1,3]thiazin-4-one is 196.97 g/mol.
Where can I buy 2-Chloro-benzo[e][1,3]thiazin-4-one?
You can request a quote for 2-Chloro-benzo[e][1,3]thiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-benzo[e][1,3]thiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-benzo[e][1,3]thiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.