Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate
TL;DR: Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate (CAS 74597-98-1) is a chemical compound with molecular formula C10H12O3S2 and molecular weight 244.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate
Also Known As: ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate, AA-516/25012054, AA-516/30041007
| Molecular Formula | C10H12O3S2 |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 2.72452 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.02278 |
| Heavy Atoms | 15 |
| Complexity | 407.04517 |
Chemical Identifiers
| CAS Number | 74597-98-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)S)C(=O)C)C |
Product Overview
Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate (CAS 74597-98-1), with molecular formula C10H12O3S2 and molecular weight 244.02 g/mol. IUPAC: ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate
Property Insights of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate
The XLogP value of 2.72452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate has 1 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 Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate?
The CAS number of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate is 74597-98-1.
What is the molecular formula of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate?
The molecular formula of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate is C10H12O3S2.
What is the molecular weight of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate?
The molecular weight of Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate is 244.02 g/mol.
Where can I buy Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate?
You can request a quote for Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetyl-3-methyl-5-sulfanylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.