4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid
TL;DR: 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid (CAS 382597-97-9) is a chemical compound with molecular formula C7H9N3O3S and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
Also Known As: 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid, 4- -BUTYRICACID, 5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid, 5-((1,3,4-Thiadiazol-2-yl)amino)-5-oxopentanoic acid, BAS 02561614
| Molecular Formula | C7H9N3O3S |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 0.7315 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.03647 |
| Heavy Atoms | 14 |
| Complexity | 311.98975 |
Chemical Identifiers
| CAS Number | 382597-97-9 |
|---|---|
| SMILES | C1=NN=C(S1)NC(=O)CCCC(=O)O |
Product Overview
4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid (CAS 382597-97-9), with molecular formula C7H9N3O3S and molecular weight 215.04 g/mol. IUPAC: 5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid.
Chemical Property Profile of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid
Property Insights of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid
The XLogP value of 0.7315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric 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-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid?
The CAS number of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid is 382597-97-9.
What is the molecular formula of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid?
The molecular formula of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid is C7H9N3O3S.
What is the molecular weight of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid?
The molecular weight of 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid is 215.04 g/mol.
Where can I buy 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid?
You can request a quote for 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 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-([1,3,4]Thiadiazol-2-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.