![3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid structure](/static/products/681/681464-11-9.png)
3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid
TL;DR: 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid (CAS 681464-11-9) is a chemical compound with molecular formula C12H10O5S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid
Also Known As: 3-[3-(2-carboxy-2-sulfanylidene-ethyl)phenyl]-2-oxo-propanoic Acid, 3-[3-(2-carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid, 3-[3-(3-hydroxy-3-oxo-2-sulfanylidenepropyl)phenyl]-2-oxopropanoic acid
| Molecular Formula | C12H10O5S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 0.8798 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.0249 |
| Heavy Atoms | 18 |
| Complexity | 477.70398 |
Chemical Identifiers
| CAS Number | 681464-11-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)CC(=S)C(=O)O)CC(=O)C(=O)O |
Product Overview
3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid (CAS 681464-11-9), with molecular formula C12H10O5S and molecular weight 266.02 g/mol. IUPAC: 3-[3-(2-carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid.
Chemical Property Profile of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid
Property Insights of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid
The XLogP value of 0.8798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid. Following Lipinski's Rule of Five, 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid has 2 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-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid?
The CAS number of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid is 681464-11-9.
What is the molecular formula of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid?
The molecular formula of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid is C12H10O5S.
What is the molecular weight of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid?
The molecular weight of 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid is 266.02 g/mol.
Where can I buy 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid?
You can request a quote for 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(2-Carboxy-2-sulfanylideneethyl)phenyl]-2-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.