![3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid structure](/static/products/935/93515-31-2.png)
3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid
TL;DR: 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid (CAS 93515-31-2) is a chemical compound with molecular formula C10H8O4S and molecular weight 224.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid
Also Known As: 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid, 3-(3,4-Methylendioxyphenyl)-2-thiopyruvsaeure, 3-(1,3-Benzodioxol-5-yl)-2-thioxopropanoic acid #, 3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid
| Molecular Formula | C10H8O4S |
|---|---|
| Molecular Weight | 224.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.01433 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 93515-31-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(=S)C(=O)O |
| InChIKey | BNXBSRIVZJUTID-UHFFFAOYSA-N |
Product Overview
3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid (CAS 93515-31-2), with molecular formula C10H8O4S and molecular weight 224.01 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-sulfanylidenepropanoic acid.
Chemical Property Profile of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid
Property Insights of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid. Following Lipinski's Rule of Five, 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid has 1 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-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid?
The CAS number of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid is 93515-31-2.
What is the molecular formula of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid?
The molecular formula of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid is C10H8O4S.
What is the molecular weight of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid?
The molecular weight of 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid is 224.01 g/mol.
Where can I buy 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid?
You can request a quote for 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.