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3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide
TL;DR: 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide (CAS 656819-53-3) is a chemical compound with molecular formula C9H7NO5S and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,3-trioxo-4H-1λ6,4-benzothiazine-6-carboxylic acid
Also Known As: 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide, 1,1,3-trioxo-4H-1, 0073AC, 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylicacid1,1-dioxide, 1,1,3-trioxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
| Molecular Formula | C9H7NO5S |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 0.1106 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.00449 |
| Heavy Atoms | 16 |
| Complexity | 589.91693 |
Chemical Identifiers
| CAS Number | 656819-53-3 |
|---|---|
| SMILES | C1C(=O)NC2=C(S1(=O)=O)C=CC(=C2)C(=O)O |
Product Overview
3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide (CAS 656819-53-3), with molecular formula C9H7NO5S and molecular weight 241.00 g/mol. IUPAC: 1,1,3-trioxo-4H-1λ6,4-benzothiazine-6-carboxylic acid.
Chemical Property Profile of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide
Property Insights of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide
The XLogP value of 0.1106 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide. Following Lipinski's Rule of Five, 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide has 2 hydrogen bond donor(s) and 4 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 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide?
The CAS number of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide is 656819-53-3.
What is the molecular formula of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide?
The molecular formula of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide is C9H7NO5S.
What is the molecular weight of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide?
The molecular weight of 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide is 241.00 g/mol.
Where can I buy 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide?
You can request a quote for 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylic acid 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.