![3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid structure](/static/products/2051/205178-79-6.webp)
3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
TL;DR: 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid (CAS 205178-79-6) is a chemical compound with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
Also Known As: 3-chloro-2-methylbenzamide, TimTec1_008277, 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid, BAS 06634174, 5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
| Molecular Formula | C13H13N3O3S |
|---|---|
| Molecular Weight | 291.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.06775 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 205178-79-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)NC2=NN=CS2)CC(=O)O |
| InChIKey | YGDQIDGTLSPHRA-UHFFFAOYSA-N |
Product Overview
3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid (CAS 205178-79-6), with molecular formula C13H13N3O3S and molecular weight 291.07 g/mol. IUPAC: 5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid.
Chemical Property Profile of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
Property Insights of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric 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 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
The CAS number of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid is 205178-79-6.
What is the molecular formula of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
The molecular formula of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid is C13H13N3O3S.
What is the molecular weight of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
The molecular weight of 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid is 291.07 g/mol.
Where can I buy 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
You can request a quote for 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.