2-(Thiophen-3-yl)propanedioic acid
TL;DR: 2-(Thiophen-3-yl)propanedioic acid (CAS 21080-92-2) is a chemical compound with molecular formula C7H6O4S and molecular weight 186.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-3-ylpropanedioic acid
Also Known As: 3-Thiophenemalonic acid, 3-Thienylmalonic acid, 2-(thiophen-3-yl)malonic acid, 3-Thienylpropanedioic acid, Not Available
| Molecular Formula | C7H6O4S |
|---|---|
| Molecular Weight | 186.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.99867 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 21080-92-2 |
|---|---|
| SMILES | C1=CSC=C1C(C(=O)O)C(=O)O |
| InChIKey | GCOOGCQWQFRJEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Thiophen-3-yl)propanedioic acid (CAS 21080-92-2), with molecular formula C7H6O4S and molecular weight 186.00 g/mol. IUPAC: 2-thiophen-3-ylpropanedioic acid.
Chemical Property Profile of 2-(Thiophen-3-yl)propanedioic acid
Property Insights of 2-(Thiophen-3-yl)propanedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Thiophen-3-yl)propanedioic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Thiophen-3-yl)propanedioic acid. Following Lipinski's Rule of Five, 2-(Thiophen-3-yl)propanedioic 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 2-(Thiophen-3-yl)propanedioic acid?
The CAS number of 2-(Thiophen-3-yl)propanedioic acid is 21080-92-2.
What is the molecular formula of 2-(Thiophen-3-yl)propanedioic acid?
The molecular formula of 2-(Thiophen-3-yl)propanedioic acid is C7H6O4S.
What is the molecular weight of 2-(Thiophen-3-yl)propanedioic acid?
The molecular weight of 2-(Thiophen-3-yl)propanedioic acid is 186.00 g/mol.
Where can I buy 2-(Thiophen-3-yl)propanedioic acid?
You can request a quote for 2-(Thiophen-3-yl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Thiophen-3-yl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Thiophen-3-yl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.