S-carboxymethyl-thiopyruvate
TL;DR: S-carboxymethyl-thiopyruvate (CAS 5462-94-2) is a chemical compound with molecular formula C5H6O5S and molecular weight 177.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(carboxymethylsulfanyl)-2-oxopropanoic acid
Also Known As: S-Carboxymethyl-thiopyruvate, 2-Oxo-4-thiaadipic acid, 3-[(Carboxymethyl)sulfanyl]-2-Oxopropanoic Acid, Homoisocitrate thia analogue, 4, 3-(carboxymethylsulfanyl)-2-oxopropanoic acid
| Molecular Formula | C5H6O5S |
|---|---|
| Molecular Weight | 177.99 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.99359 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 5462-94-2 |
|---|---|
| SMILES | C(C(=O)C(=O)O)SCC(=O)O |
| InChIKey | FDUKYMHTXNDQPD-UHFFFAOYSA-N |
Product Overview
S-carboxymethyl-thiopyruvate (CAS 5462-94-2), with molecular formula C5H6O5S and molecular weight 177.99 g/mol. IUPAC: 3-(carboxymethylsulfanyl)-2-oxopropanoic acid.
Chemical Property Profile of S-carboxymethyl-thiopyruvate
Property Insights of S-carboxymethyl-thiopyruvate
The XLogP value of -0.1 indicates that S-carboxymethyl-thiopyruvate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-carboxymethyl-thiopyruvate. Following Lipinski's Rule of Five, S-carboxymethyl-thiopyruvate has 2 hydrogen bond donor(s) and 6 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 S-carboxymethyl-thiopyruvate?
The CAS number of S-carboxymethyl-thiopyruvate is 5462-94-2.
What is the molecular formula of S-carboxymethyl-thiopyruvate?
The molecular formula of S-carboxymethyl-thiopyruvate is C5H6O5S.
What is the molecular weight of S-carboxymethyl-thiopyruvate?
The molecular weight of S-carboxymethyl-thiopyruvate is 177.99 g/mol.
Where can I buy S-carboxymethyl-thiopyruvate?
You can request a quote for S-carboxymethyl-thiopyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-carboxymethyl-thiopyruvate?
Yes, KEHONG BIO provides custom synthesis services for S-carboxymethyl-thiopyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.