3-(Pentylthio)pyruvic acid
TL;DR: 3-(Pentylthio)pyruvic acid (CAS 5453-65-6) is a chemical compound with molecular formula C8H14O3S and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3-pentylsulfanylpropanoic acid
Also Known As: 3-(Pentylthio)pyruvic acid, 1-ethyl-barbituric acid, Propanoic acid, 2-oxo-3-(pentylthio)-, 2-oxo-3-pentylsulfanylpropanoic acid, 2-oxo-3-(pentylsulfanyl)propanoic acid
| Molecular Formula | C8H14O3S |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.06636 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 5453-65-6 |
|---|---|
| SMILES | CCCCCSCC(=O)C(=O)O |
| InChIKey | VEUXIBFYPWYDLD-UHFFFAOYSA-N |
Product Overview
3-(Pentylthio)pyruvic acid (CAS 5453-65-6), with molecular formula C8H14O3S and molecular weight 190.07 g/mol. IUPAC: 2-oxo-3-pentylsulfanylpropanoic acid.
Chemical Property Profile of 3-(Pentylthio)pyruvic acid
Property Insights of 3-(Pentylthio)pyruvic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pentylthio)pyruvic acid. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Pentylthio)pyruvic acid. Following Lipinski's Rule of Five, 3-(Pentylthio)pyruvic acid has 1 hydrogen bond donor(s) and 4 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-(Pentylthio)pyruvic acid?
The CAS number of 3-(Pentylthio)pyruvic acid is 5453-65-6.
What is the molecular formula of 3-(Pentylthio)pyruvic acid?
The molecular formula of 3-(Pentylthio)pyruvic acid is C8H14O3S.
What is the molecular weight of 3-(Pentylthio)pyruvic acid?
The molecular weight of 3-(Pentylthio)pyruvic acid is 190.07 g/mol.
Where can I buy 3-(Pentylthio)pyruvic acid?
You can request a quote for 3-(Pentylthio)pyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pentylthio)pyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentylthio)pyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.