Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate
TL;DR: Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate (CAS 477857-89-9) is a chemical compound with molecular formula C13H11ClO2S2 and molecular weight 297.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carboxylate
Also Known As: methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate, methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)thiophene-2-carboxylate, methyl 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carboxylate, Methyl 3-(4-chlorophenyl)-5-(methylthio)-2-thiophenecarboxylate, methyl 3-(4-chlorophenyl)-5-methylsulfanyl-thiophene-2-carboxylate
| Molecular Formula | C13H11ClO2S2 |
|---|---|
| Molecular Weight | 297.99 g/mol |
| LogP | 4.577 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.9889 |
| Heavy Atoms | 18 |
| Complexity | 560.87024 |
Chemical Identifiers
| CAS Number | 477857-89-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(S1)SC)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate (CAS 477857-89-9), with molecular formula C13H11ClO2S2 and molecular weight 297.99 g/mol. IUPAC: methyl 3-(4-chlorophenyl)-5-methylsulfanylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate
Property Insights of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate
The XLogP value of 4.577 indicates that Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate has 0 hydrogen bond donor(s) and 4 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)-5-(methylsulfanyl)-2-thiophenecarboxylate?
The CAS number of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate is 477857-89-9.
What is the molecular formula of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate?
The molecular formula of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate is C13H11ClO2S2.
What is the molecular weight of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate?
The molecular weight of Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate is 297.99 g/mol.
Where can I buy Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate?
You can request a quote for Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate 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)-5-(methylsulfanyl)-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.