2-Oxo-3(2H)-benzothiazolebutanoic acid
TL;DR: 2-Oxo-3(2H)-benzothiazolebutanoic acid (CAS 1210-64-6) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-oxo-1,3-benzothiazol-3-yl)butanoic acid
Also Known As: 2-Oxo-3(2H)-benzothiazolebutanoic acid, 4-(2-oxobenzothiazol-3-yl)butanoic Acid, 4-(2-oxo-1,3-benzothiazol-3-yl)butanoic acid, 4-(2-oxobenzo[d]thiazol-3(2H)-yl)butanoic acid, 4-(2-Oxo-1,3-benzothiazol-3(2H)-yl)butanoic acid
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.9278 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 569.8585 |
Chemical Identifiers
| CAS Number | 1210-64-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CCCC(=O)O |
Product Overview
2-Oxo-3(2H)-benzothiazolebutanoic acid (CAS 1210-64-6), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: 4-(2-oxo-1,3-benzothiazol-3-yl)butanoic acid.
Chemical Property Profile of 2-Oxo-3(2H)-benzothiazolebutanoic acid
Property Insights of 2-Oxo-3(2H)-benzothiazolebutanoic acid
The XLogP value of 1.9278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-3(2H)-benzothiazolebutanoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 2-Oxo-3(2H)-benzothiazolebutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-3(2H)-benzothiazolebutanoic acid has 1 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 2-Oxo-3(2H)-benzothiazolebutanoic acid?
The CAS number of 2-Oxo-3(2H)-benzothiazolebutanoic acid is 1210-64-6.
What is the molecular formula of 2-Oxo-3(2H)-benzothiazolebutanoic acid?
The molecular formula of 2-Oxo-3(2H)-benzothiazolebutanoic acid is C11H11NO3S.
What is the molecular weight of 2-Oxo-3(2H)-benzothiazolebutanoic acid?
The molecular weight of 2-Oxo-3(2H)-benzothiazolebutanoic acid is 237.05 g/mol.
Where can I buy 2-Oxo-3(2H)-benzothiazolebutanoic acid?
You can request a quote for 2-Oxo-3(2H)-benzothiazolebutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-3(2H)-benzothiazolebutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-3(2H)-benzothiazolebutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.