![2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid structure](/static/products/3140/314032-00-3.webp)
2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
TL;DR: 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid (CAS 314032-00-3) is a chemical compound with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
Also Known As: IFLab1_004220, 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid, 2-((6-methylbenzo[d]thiazol-2-yl)carbamoyl)benzoic acid, F0895-0086, o-(N-6-methyl-1,3-benzothiazol-2-ylcarbamoyl)benzoic acid
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 314032-00-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3C(=O)O |
| InChIKey | ATEDNEHOSTWLKR-UHFFFAOYSA-N |
Product Overview
2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid (CAS 314032-00-3), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
Property Insights of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
The XLogP value of 3.4 indicates that 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid has 2 hydrogen bond donor(s) and 5 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-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid?
The CAS number of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid is 314032-00-3.
What is the molecular formula of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid?
The molecular formula of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid is C16H12N2O3S.
What is the molecular weight of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid?
The molecular weight of 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid is 312.06 g/mol.
Where can I buy 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid?
You can request a quote for 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic 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-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.