![2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid structure](/static/products/1017/101774-29-2.webp)
2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid
TL;DR: 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid (CAS 101774-29-2) is a chemical compound with molecular formula C9H6BrNO3S and molecular weight 286.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetic acid
Also Known As: 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid, (6-bromo-2-oxo-1,3-benzothiazol-3(2H)-yl)acetic acid, 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetic acid, 2-(6-Bromo-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetic acid, (6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetic acid
| Molecular Formula | C9H6BrNO3S |
|---|---|
| Molecular Weight | 286.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.92517 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 101774-29-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)SC(=O)N2CC(=O)O |
| InChIKey | DVRQIWFOAHDBIX-UHFFFAOYSA-N |
Product Overview
2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid (CAS 101774-29-2), with molecular formula C9H6BrNO3S and molecular weight 286.93 g/mol. IUPAC: 2-(6-bromo-2-oxo-1,3-benzothiazol-3-yl)acetic acid.
Chemical Property Profile of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid
Property Insights of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid. Following Lipinski's Rule of Five, 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-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-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid?
The CAS number of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid is 101774-29-2.
What is the molecular formula of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid?
The molecular formula of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid is C9H6BrNO3S.
What is the molecular weight of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid?
The molecular weight of 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid is 286.93 g/mol.
Where can I buy 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid?
You can request a quote for 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-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-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Bromo-2-oxobenzo[d]thiazol-3(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.