Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate
TL;DR: Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate (CAS 63244-05-3) is a chemical compound with molecular formula C14H10ClNO2S2 and molecular weight 322.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylate
Also Known As: Maybridge1_004729, methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate, BUTTPARK 94\04-14, methyl 3-(4-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylate, 1-Benzyl-4-phenyl-1H-1,2,3-triazol-5-amine
| Molecular Formula | C14H10ClNO2S2 |
|---|---|
| Molecular Weight | 322.98 g/mol |
| LogP | 4.44868 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.98416 |
| Heavy Atoms | 20 |
| Complexity | 686.4349 |
Chemical Identifiers
| CAS Number | 63244-05-3 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(S1)SC)C#N)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate (CAS 63244-05-3), with molecular formula C14H10ClNO2S2 and molecular weight 322.98 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-4-cyano-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate
Property Insights of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate
The XLogP value of 4.44868 indicates that Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenyl)-4-cyano-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 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate?
The CAS number of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate is 63244-05-3.
What is the molecular formula of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate?
The molecular formula of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate is C14H10ClNO2S2.
What is the molecular weight of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate?
The molecular weight of Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate is 322.98 g/mol.
Where can I buy Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate?
You can request a quote for Methyl 3-(4-chlorophenyl)-4-cyano-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 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.