3-Thienylglyoxylic acid
TL;DR: 3-Thienylglyoxylic acid (CAS 39684-36-1) is a chemical compound with molecular formula C6H4O3S and molecular weight 155.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-thiophen-3-ylacetic acid
Also Known As: 3-THIENYLGLYOXYLIC ACID, Thien-3-ylglyoxylic acid, 2-Oxo-2-(thiophen-3-yl)acetic acid, 3-THIENYLGLYOXYLICACID, Thien-3-yl-glyoxylic acid
| Molecular Formula | C6H4O3S |
|---|---|
| Molecular Weight | 155.99 g/mol |
| LogP | 1.0154 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.98811 |
| Heavy Atoms | 10 |
| Complexity | 249.96646 |
Chemical Identifiers
| CAS Number | 39684-36-1 |
|---|---|
| SMILES | C1=CSC=C1C(=O)C(=O)O |
Product Overview
3-Thienylglyoxylic acid (CAS 39684-36-1), with molecular formula C6H4O3S and molecular weight 155.99 g/mol. IUPAC: 2-oxo-2-thiophen-3-ylacetic acid.
Chemical Property Profile of 3-Thienylglyoxylic acid
Property Insights of 3-Thienylglyoxylic acid
The XLogP value of 1.0154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thienylglyoxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Thienylglyoxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thienylglyoxylic acid has 1 hydrogen bond donor(s) and 3 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-Thienylglyoxylic acid?
The CAS number of 3-Thienylglyoxylic acid is 39684-36-1.
What is the molecular formula of 3-Thienylglyoxylic acid?
The molecular formula of 3-Thienylglyoxylic acid is C6H4O3S.
What is the molecular weight of 3-Thienylglyoxylic acid?
The molecular weight of 3-Thienylglyoxylic acid is 155.99 g/mol.
Where can I buy 3-Thienylglyoxylic acid?
You can request a quote for 3-Thienylglyoxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thienylglyoxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Thienylglyoxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.