2,2-Bis(thiophen-2-ylmethyl)propanedioic acid
TL;DR: 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid (CAS 4431-34-9) is a chemical compound with molecular formula C13H12O4S2 and molecular weight 296.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(thiophen-2-ylmethyl)propanedioic acid
Also Known As: 2,2-bis(thiophen-2-ylmethyl)propanedioic acid, Bis[(thiophen-2-yl)methyl]propanedioic acid
| Molecular Formula | C13H12O4S2 |
|---|---|
| Molecular Weight | 296.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 296.0177 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 4431-34-9 |
|---|---|
| SMILES | C1=CSC(=C1)CC(CC2=CC=CS2)(C(=O)O)C(=O)O |
| InChIKey | KWTRGVJNRUADEC-UHFFFAOYSA-N |
Product Overview
2,2-Bis(thiophen-2-ylmethyl)propanedioic acid (CAS 4431-34-9), with molecular formula C13H12O4S2 and molecular weight 296.02 g/mol. IUPAC: 2,2-bis(thiophen-2-ylmethyl)propanedioic acid.
Chemical Property Profile of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid
Property Insights of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid. Following Lipinski's Rule of Five, 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid has 2 hydrogen bond donor(s) and 6 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 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid?
The CAS number of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid is 4431-34-9.
What is the molecular formula of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid?
The molecular formula of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid is C13H12O4S2.
What is the molecular weight of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid?
The molecular weight of 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid is 296.02 g/mol.
Where can I buy 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid?
You can request a quote for 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(thiophen-2-ylmethyl)propanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.