2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid
TL;DR: 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid (CAS 100637-93-2) 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.
2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid
Also Known As: (3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetic acid, TimTec1_007302, 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid, 4-(Carboxymethyl)-2H-1,4-benzothiazin-3(4H)-one, (2,3-Dihydro-3-oxo-4H-1,4-benzothiazin-4-yl)acetic acid
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 100637-93-2 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2S1)CC(=O)O |
| InChIKey | JLTWTIZTEXPRTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid (CAS 100637-93-2), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid.
Chemical Property Profile of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid
Property Insights of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid. Following Lipinski's Rule of Five, 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid has 1 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 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid?
The CAS number of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid is 100637-93-2.
What is the molecular formula of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid?
The molecular formula of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid is C10H9NO3S.
What is the molecular weight of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid?
The molecular weight of 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid is 223.03 g/mol.
Where can I buy 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid?
You can request a quote for 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.