4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid
TL;DR: 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid (CAS 79888-41-8) is a chemical compound with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid
Also Known As: 3-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]propanoic acid, N-(5-Propyl-1,3,4-thiadiazol-2-yl)succinamic acid, 4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid, Succinamic acid, N-(5-propyl-1,3,4-thiadiazol-2-yl)-, Butanoic acid, 4-oxo-4-((5-propyl-1,3,4-thiazol-2-yl)amino)-
| Molecular Formula | C9H13N3O3S |
|---|---|
| Molecular Weight | 243.07 g/mol |
| LogP | 1.2939 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 243.06776 |
| Heavy Atoms | 16 |
| Complexity | 377.83105 |
Chemical Identifiers
| CAS Number | 79888-41-8 |
|---|---|
| SMILES | CCCC1=NN=C(S1)NC(=O)CCC(=O)O |
Product Overview
4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid (CAS 79888-41-8), with molecular formula C9H13N3O3S and molecular weight 243.07 g/mol. IUPAC: 4-oxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid.
Chemical Property Profile of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid
Property Insights of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid
The XLogP value of 1.2939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic 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-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid?
The CAS number of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid is 79888-41-8.
What is the molecular formula of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid?
The molecular formula of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid is C9H13N3O3S.
What is the molecular weight of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid?
The molecular weight of 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid is 243.07 g/mol.
Where can I buy 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid?
You can request a quote for 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-((5-propyl-1,3,4-thiadiazol-2-yl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.