![2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid structure](/static/products/3139/313981-64-5.webp)
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
TL;DR: 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid (CAS 313981-64-5) is a chemical compound with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Also Known As: BAS 00929211, 2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid, N-(5-Methyl-[1,3,4]thiadiazol-2-yl)-phthalamic acid, 2-[N-(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid, 2-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]benzoic acid
| Molecular Formula | C11H9N3O3S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 1.79702 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.03647 |
| Heavy Atoms | 18 |
| Complexity | 609.0858 |
Chemical Identifiers
| CAS Number | 313981-64-5 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid (CAS 313981-64-5), with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol. IUPAC: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Property Insights of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
The XLogP value of 1.79702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(5-Methyl-1,3,4-thiadiazol-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-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
The CAS number of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid is 313981-64-5.
What is the molecular formula of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
The molecular formula of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid is C11H9N3O3S.
What is the molecular weight of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
The molecular weight of 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid is 263.04 g/mol.
Where can I buy 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
You can request a quote for 2-[(5-Methyl-1,3,4-thiadiazol-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-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.