3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester
TL;DR: 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester (CAS 66927-68-2) is a chemical compound with molecular formula C17H16O4S2 and molecular weight 348.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-phenyl-5-prop-2-enylsulfanylthiophene-3,4-dicarboxylate
Also Known As: 2-phenyl-5-3,4-thiophenedicarboxylicaciddimethylester, 2-Phenyl-5- -3,4-thiophenedicarboxylicaciddimethylester, 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester, Dimethyl 2-(allylsulfanyl)-5-phenyl-3,4-thiophenedicarboxylate, Dimethyl 2-(allylsulfanyl)-5-phenyl-3,4-thiophenedicarboxylate #
| Molecular Formula | C17H16O4S2 |
|---|---|
| Molecular Weight | 348.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.049 |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 66927-68-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1C(=O)OC)SCC=C)C2=CC=CC=C2 |
| InChIKey | IBZWIJOYWQSLML-UHFFFAOYSA-N |
Product Overview
3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester (CAS 66927-68-2), with molecular formula C17H16O4S2 and molecular weight 348.05 g/mol. IUPAC: dimethyl 2-phenyl-5-prop-2-enylsulfanylthiophene-3,4-dicarboxylate.
Chemical Property Profile of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester
Property Insights of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester
The XLogP value of 4.5 indicates that 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester. Following Lipinski's Rule of Five, 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester has 0 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 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester?
The CAS number of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester is 66927-68-2.
What is the molecular formula of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester?
The molecular formula of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester is C17H16O4S2.
What is the molecular weight of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester?
The molecular weight of 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester is 348.05 g/mol.
Where can I buy 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester?
You can request a quote for 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Thiophenedicarboxylic acid, 2-phenyl-5-(2-propenylthio)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.