![2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid structure](/static/products/7936/793690-72-9.webp)
2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
TL;DR: 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid (CAS 793690-72-9) 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-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Also Known As: 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid, 2-[(2-methylbenzothiazol-6-yl)carbamoyl]benzoic Acid, 2-[N-(2-methylbenzothiazol-6-yl)carbamoyl]benzoic acid
| Molecular Formula | C16H12N2O3S |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 3.55522 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05685 |
| Heavy Atoms | 22 |
| Complexity | 885.9832 |
Chemical Identifiers
| CAS Number | 793690-72-9 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid (CAS 793690-72-9), with molecular formula C16H12N2O3S and molecular weight 312.06 g/mol. IUPAC: 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
Property Insights of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid
The XLogP value of 3.55522 indicates that 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid has 2 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-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid?
The CAS number of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid is 793690-72-9.
What is the molecular formula of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid?
The molecular formula of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid is C16H12N2O3S.
What is the molecular weight of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid?
The molecular weight of 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid is 312.06 g/mol.
Where can I buy 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid?
You can request a quote for 2-[(2-Methyl-1,3-benzothiazol-6-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-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Methyl-1,3-benzothiazol-6-yl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.