![3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid structure](/static/products/728/728015-05-2.png)
3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid
TL;DR: 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid (CAS 728015-05-2) is a chemical compound with molecular formula C16H12N4O3S2 and molecular weight 372.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: BAS 11409555, A3844/0163241, 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid, 3-(2-((5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzoic acid, 3-[({[5-(pyridin-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzoic acid
| Molecular Formula | C16H12N4O3S2 |
|---|---|
| Molecular Weight | 372.04 g/mol |
| LogP | 3.0291 |
| Topological Polar Surface Area | 105.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.0351 |
| Heavy Atoms | 25 |
| Complexity | 899.1602 |
Chemical Identifiers
| CAS Number | 728015-05-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)C3=CN=CC=C3)C(=O)O |
Product Overview
3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid (CAS 728015-05-2), with molecular formula C16H12N4O3S2 and molecular weight 372.04 g/mol. IUPAC: 3-[[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid
Property Insights of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid
The XLogP value of 3.0291 indicates that 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid. Following Lipinski's Rule of Five, 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid has 2 hydrogen bond donor(s) and 7 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 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid?
The CAS number of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid is 728015-05-2.
What is the molecular formula of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid?
The molecular formula of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid is C16H12N4O3S2.
What is the molecular weight of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid?
The molecular weight of 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid is 372.04 g/mol.
Where can I buy 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid?
You can request a quote for 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(5-Pyridin-3-yl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.