(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
TL;DR: (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (CAS 272437-85-1) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
Also Known As: (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.8175 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 444.29367 |
Chemical Identifiers
| CAS Number | 272437-85-1 |
|---|---|
| SMILES | C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)O |
Product Overview
(2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid (CAS 272437-85-1), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid.
Chemical Property Profile of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
Property Insights of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid
The XLogP value of 1.8175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid. Following Lipinski's Rule of Five, (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid has 2 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 (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
The CAS number of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid is 272437-85-1.
What is the molecular formula of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
The molecular formula of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid is C10H9NO3S.
What is the molecular weight of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
The molecular weight of (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid is 223.03 g/mol.
Where can I buy (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
You can request a quote for (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.