4H-1,4-Benzothiazin-3-one
TL;DR: 4H-1,4-Benzothiazin-3-one (CAS 5325-20-2) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-1,4-benzothiazin-3-one
Also Known As: 2H-1,4-Benzothiazin-3(4H)-one, 2H-Benzo[b][1,4]thiazin-3(4H)-one, 4H-1,4-Benzothiazin-3-one, null, 1,4-benzothiazin-3-one
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 5325-20-2 |
|---|---|
| SMILES | C1C(=O)NC2=CC=CC=C2S1 |
| InChIKey | GTFMIJNXNMDHAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,4-Benzothiazin-3-one (CAS 5325-20-2), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 4H-1,4-Benzothiazin-3-one
Property Insights of 4H-1,4-Benzothiazin-3-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,4-Benzothiazin-3-one. With a topological polar surface area (TPSA) of 54.4 Ų, 4H-1,4-Benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,4-Benzothiazin-3-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 4H-1,4-Benzothiazin-3-one?
The CAS number of 4H-1,4-Benzothiazin-3-one is 5325-20-2.
What is the molecular formula of 4H-1,4-Benzothiazin-3-one?
The molecular formula of 4H-1,4-Benzothiazin-3-one is C8H7NOS.
What is the molecular weight of 4H-1,4-Benzothiazin-3-one?
The molecular weight of 4H-1,4-Benzothiazin-3-one is 165.02 g/mol.
Where can I buy 4H-1,4-Benzothiazin-3-one?
You can request a quote for 4H-1,4-Benzothiazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,4-Benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,4-Benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.