2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-
TL;DR: 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- (CAS 98434-22-1) is a chemical compound with molecular formula C8H6BrNOS and molecular weight 242.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4H-1,4-benzothiazin-3-one
Also Known As: 6-bromo-2H-benzo[b][1,4]thiazin-3(4H)-one, 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-, 6-bromo-4H-1,4-benzothiazin-3-one, 6-bromo-2H-1,4-benzothiazin-3(4H)-one, 2H-1,4-Benzothiazin-3(4H)-one,6-bromo-
| Molecular Formula | C8H6BrNOS |
|---|---|
| Molecular Weight | 242.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.93535 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 98434-22-1 |
|---|---|
| SMILES | C1C(=O)NC2=C(S1)C=CC(=C2)Br |
| InChIKey | QXMFOFHASVVZIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- (CAS 98434-22-1), with molecular formula C8H6BrNOS and molecular weight 242.94 g/mol. IUPAC: 6-bromo-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-
Property Insights of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-. With a topological polar surface area (TPSA) of 54.4 Ų, 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- 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 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-?
The CAS number of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- is 98434-22-1.
What is the molecular formula of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-?
The molecular formula of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- is C8H6BrNOS.
What is the molecular weight of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-?
The molecular weight of 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- is 242.94 g/mol.
Where can I buy 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-?
You can request a quote for 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzothiazin-3(4H)-one, 6-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.