3-(2-Carboxyethenylsulfanyl)propanoic acid
TL;DR: 3-(2-Carboxyethenylsulfanyl)propanoic acid (CAS 41108-53-6) is a chemical compound with molecular formula C6H8O4S and molecular weight 176.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-carboxyethenylsulfanyl)propanoic acid
Also Known As: 3-[(2-carboxyethyl)sulfanyl]prop-2-enoic acid, 3-(3-hydroxy-3-oxoprop-1-enyl)sulfanylpropanoic acid, 2-Propenoicacid, 3-[(2-carboxyethyl)thio]-, (Z)- (9CI)
| Molecular Formula | C6H8O4S |
|---|---|
| Molecular Weight | 176.01 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.01433 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 41108-53-6 |
|---|---|
| SMILES | C(CSC=CC(=O)O)C(=O)O |
| InChIKey | RYKRNZNOIFBIAF-UHFFFAOYSA-N |
Product Overview
3-(2-Carboxyethenylsulfanyl)propanoic acid (CAS 41108-53-6), with molecular formula C6H8O4S and molecular weight 176.01 g/mol. IUPAC: 3-(2-carboxyethenylsulfanyl)propanoic acid.
Chemical Property Profile of 3-(2-Carboxyethenylsulfanyl)propanoic acid
Property Insights of 3-(2-Carboxyethenylsulfanyl)propanoic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Carboxyethenylsulfanyl)propanoic acid. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Carboxyethenylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-Carboxyethenylsulfanyl)propanoic 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 3-(2-Carboxyethenylsulfanyl)propanoic acid?
The CAS number of 3-(2-Carboxyethenylsulfanyl)propanoic acid is 41108-53-6.
What is the molecular formula of 3-(2-Carboxyethenylsulfanyl)propanoic acid?
The molecular formula of 3-(2-Carboxyethenylsulfanyl)propanoic acid is C6H8O4S.
What is the molecular weight of 3-(2-Carboxyethenylsulfanyl)propanoic acid?
The molecular weight of 3-(2-Carboxyethenylsulfanyl)propanoic acid is 176.01 g/mol.
Where can I buy 3-(2-Carboxyethenylsulfanyl)propanoic acid?
You can request a quote for 3-(2-Carboxyethenylsulfanyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Carboxyethenylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Carboxyethenylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.