4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid (CAS 79888-42-9) is a chemical compound with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid
Also Known As: N-(5-Butyl-1,3,4-thiadiazol-2-yl)succinamic acid, Succinamic acid, N-(5-butyl-1,3,4-thiadiazol-2-yl)-, 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid, Butanoic acid, 4-((5-butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxo-, 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid
| Molecular Formula | C10H15N3O3S |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.684 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.0834 |
| Heavy Atoms | 17 |
| Complexity | 391.90277 |
Chemical Identifiers
| CAS Number | 79888-42-9 |
|---|---|
| SMILES | CCCCC1=NN=C(S1)NC(=O)CCC(=O)O |
Product Overview
4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid (CAS 79888-42-9), with molecular formula C10H15N3O3S and molecular weight 257.08 g/mol. IUPAC: 4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid
The XLogP value of 1.684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic 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 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid is 79888-42-9.
What is the molecular formula of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid is C10H15N3O3S.
What is the molecular weight of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid is 257.08 g/mol.
Where can I buy 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-Butyl-1,3,4-thiadiazol-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.