Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
TL;DR: Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate (CAS 175201-84-0) 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.
methyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate
Also Known As: Maybridge1_004596, methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate, 1,8-NAPHTHYRIDIN-2(8H)-ONE, methyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate, 2-Thiophenecarboxylicacid, 4-acetyl-3-methyl-5-(methylthio)-, methyl ester
| Molecular Formula | C10H12O3S2 |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 2.76762 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.02278 |
| Heavy Atoms | 15 |
| Complexity | 407.04517 |
Chemical Identifiers
| CAS Number | 175201-84-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)C)SC)C(=O)OC |
Product Overview
Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate (CAS 175201-84-0), with molecular formula C10H12O3S2 and molecular weight 244.02 g/mol. IUPAC: methyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
Property Insights of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 2.76762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate 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 Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is 175201-84-0.
What is the molecular formula of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is C10H12O3S2.
What is the molecular weight of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate is 244.02 g/mol.
Where can I buy Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.