![2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid structure](/static/products/799/799258-41-6.png)
2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
TL;DR: 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid (CAS 799258-41-6) is a chemical compound with molecular formula C8H11N3O3S and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
Also Known As: 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid, BAS 06634118, 5-((1,3,4-Thiadiazol-2-yl)amino)-2-methyl-5-oxopentanoic acid, 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid, 2-methyl-4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid
| Molecular Formula | C8H11N3O3S |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 0.9775 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.05211 |
| Heavy Atoms | 15 |
| Complexity | 338.91092 |
Chemical Identifiers
| CAS Number | 799258-41-6 |
|---|---|
| SMILES | CC(CCC(=O)NC1=NN=CS1)C(=O)O |
Product Overview
2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid (CAS 799258-41-6), with molecular formula C8H11N3O3S and molecular weight 229.05 g/mol. IUPAC: 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid.
Chemical Property Profile of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
Property Insights of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid
The XLogP value of 0.9775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-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 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 2-Methyl-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 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
The CAS number of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid is 799258-41-6.
What is the molecular formula of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
The molecular formula of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid is C8H11N3O3S.
What is the molecular weight of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
The molecular weight of 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid is 229.05 g/mol.
Where can I buy 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
You can request a quote for 2-Methyl-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 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-([1,3,4]thiadiazol-2-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.