Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate
TL;DR: Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate (CAS 555154-33-1) is a chemical compound with molecular formula C12H16O4S2 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-methylsulfanylthiophene-2,4-dicarboxylate
Also Known As: diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate, diethyl 3-methyl-5-methylsulfanylthiophene-2,4-dicarboxylate, 5X-0953, 2,4-diethyl 3-methyl-5-(methylsulfanyl)thiophene-2,4-dicarboxylate, diethyl 3-methyl-5-(methylsulfanyl)thiophene-2,4-dicarboxylate
| Molecular Formula | C12H16O4S2 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 3.13182 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.049 |
| Heavy Atoms | 18 |
| Complexity | 451.17505 |
Chemical Identifiers
| CAS Number | 555154-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)SC |
Product Overview
Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate (CAS 555154-33-1), with molecular formula C12H16O4S2 and molecular weight 288.05 g/mol. IUPAC: diethyl 3-methyl-5-methylsulfanylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate
Property Insights of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate
The XLogP value of 3.13182 indicates that Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate 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 Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate?
The CAS number of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate is 555154-33-1.
What is the molecular formula of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate?
The molecular formula of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate is C12H16O4S2.
What is the molecular weight of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate?
The molecular weight of Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate is 288.05 g/mol.
Where can I buy Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate?
You can request a quote for Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-methyl-5-(methylsulfanyl)-2,4-thiophenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.