2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester
TL;DR: 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester (CAS 4282-34-2) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl thiophene-2,5-dicarboxylate
Also Known As: dimethyl thiophene-2,5-dicarboxylate, 2,5-Thiophenedicarboxylic acid dimethyl ester, 2,5-dimethyl thiophene-2,5-dicarboxylate, Dimethyl 2,5-thiophenedicarboxylate, Thiophene-2,5-dicarboxaldehyde
| Molecular Formula | C8H8O4S |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.01433 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 4282-34-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(S1)C(=O)OC |
| InChIKey | CYUGNCLRGFKPAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester (CAS 4282-34-2), with molecular formula C8H8O4S and molecular weight 200.01 g/mol. IUPAC: dimethyl thiophene-2,5-dicarboxylate.
Chemical Property Profile of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester
Property Insights of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester. Following Lipinski's Rule of Five, 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester has 0 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 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester?
The CAS number of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester is 4282-34-2.
What is the molecular formula of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester?
The molecular formula of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester is C8H8O4S.
What is the molecular weight of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester?
The molecular weight of 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester is 200.01 g/mol.
Where can I buy 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester?
You can request a quote for 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Thiophenedicarboxylic acid, 2,5-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.