![4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid structure](/static/products/3258/325810-31-9.webp)
4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
TL;DR: 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid (CAS 325810-31-9) is a chemical compound with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Also Known As: BAS 01126149, 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid, 4-Methyl-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-phthalamic acid, 4-methyl-2-[N-(5-methyl(1,3,4-thiadiazol-2-yl))carbamoyl]benzoic acid
| Molecular Formula | C12H11N3O3S |
|---|---|
| Molecular Weight | 277.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.05212 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 325810-31-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)O)C(=O)NC2=NN=C(S2)C |
| InChIKey | RDOAGXGPWOWCFV-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid (CAS 325810-31-9), with molecular formula C12H11N3O3S and molecular weight 277.05 g/mol. IUPAC: 4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid.
Chemical Property Profile of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
Property Insights of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid has 2 hydrogen bond donor(s) and 6 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 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
The CAS number of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid is 325810-31-9.
What is the molecular formula of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
The molecular formula of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid is C12H11N3O3S.
What is the molecular weight of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
The molecular weight of 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid is 277.05 g/mol.
Where can I buy 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
You can request a quote for 4-Methyl-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 4-Methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-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.