![2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid structure](/static/products/312/312941-99-4.png)
2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid
TL;DR: 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid (CAS 312941-99-4) is a chemical compound with molecular formula C15H16N4O4S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid
Also Known As: 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid, 2-({3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoyl}amino)benzoic acid, 2-(3-oxo-3-((5-propyl-1,3,4-thiadiazol-2-yl)amino)propanamido)benzoic acid, 2-[[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid
| Molecular Formula | C15H16N4O4S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 348.08923 |
| Heavy Atoms | 24 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 312941-99-4 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | KVEWPCYZWDCXFC-UHFFFAOYSA-N |
Product Overview
2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid (CAS 312941-99-4), with molecular formula C15H16N4O4S and molecular weight 348.09 g/mol. IUPAC: 2-[[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid.
Chemical Property Profile of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid
Property Insights of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid has 3 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 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid?
The CAS number of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid is 312941-99-4.
What is the molecular formula of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid?
The molecular formula of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid is C15H16N4O4S.
What is the molecular weight of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid?
The molecular weight of 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid is 348.09 g/mol.
Where can I buy 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid?
You can request a quote for 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-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 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(5-Propyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-acetylamino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.