3,4-Diphenylthiophene-2,5-dicarboxylic acid
TL;DR: 3,4-Diphenylthiophene-2,5-dicarboxylic acid (CAS 19799-42-9) is a chemical compound with molecular formula C18H12O4S and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diphenylthiophene-2,5-dicarboxylic acid
Also Known As: 3,4-diphenylthiophene-2,5-dicarboxylic acid, 2,5-Dicarboxy-3,4-diphenyl-thiophene, 3,4-diphenyl-2,5-thiophenedicarboxylic acid, 2,5-Thiophenedicarboxylic acid, 3,4-diphenyl-, 2,5-Thiophenedicarboxylicacid, 3,4-diphenyl-
| Molecular Formula | C18H12O4S |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.04562 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 19799-42-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=C2C3=CC=CC=C3)C(=O)O)C(=O)O |
| InChIKey | UHMRUNRNPULYJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diphenylthiophene-2,5-dicarboxylic acid (CAS 19799-42-9), with molecular formula C18H12O4S and molecular weight 324.05 g/mol. IUPAC: 3,4-diphenylthiophene-2,5-dicarboxylic acid.
Chemical Property Profile of 3,4-Diphenylthiophene-2,5-dicarboxylic acid
Property Insights of 3,4-Diphenylthiophene-2,5-dicarboxylic acid
The XLogP value of 4.6 indicates that 3,4-Diphenylthiophene-2,5-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diphenylthiophene-2,5-dicarboxylic acid. Following Lipinski's Rule of Five, 3,4-Diphenylthiophene-2,5-dicarboxylic 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 3,4-Diphenylthiophene-2,5-dicarboxylic acid?
The CAS number of 3,4-Diphenylthiophene-2,5-dicarboxylic acid is 19799-42-9.
What is the molecular formula of 3,4-Diphenylthiophene-2,5-dicarboxylic acid?
The molecular formula of 3,4-Diphenylthiophene-2,5-dicarboxylic acid is C18H12O4S.
What is the molecular weight of 3,4-Diphenylthiophene-2,5-dicarboxylic acid?
The molecular weight of 3,4-Diphenylthiophene-2,5-dicarboxylic acid is 324.05 g/mol.
Where can I buy 3,4-Diphenylthiophene-2,5-dicarboxylic acid?
You can request a quote for 3,4-Diphenylthiophene-2,5-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diphenylthiophene-2,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diphenylthiophene-2,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.