Methyl 5-p-tolylthiophene-2-carboxylate
TL;DR: Methyl 5-p-tolylthiophene-2-carboxylate (CAS 50971-49-8) is a chemical compound with molecular formula C13H12O2S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-methylphenyl)thiophene-2-carboxylate
Also Known As: Methyl 5-p-tolylthiophene-2-carboxylate, methyl 5-(4-methylphenyl)thiophene-2-carboxylate, 5-p-Tolyl-thiophen-2-carbonsaeure, Methyl5-p-tolylthiophene-2-carboxylate, 5-(P-TOLYL)THIOPHENE-2-CARBOXYLICACIDMETHYLESTER
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.51012 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 496.90607 |
Chemical Identifiers
| CAS Number | 50971-49-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(S2)C(=O)OC |
Product Overview
Methyl 5-p-tolylthiophene-2-carboxylate (CAS 50971-49-8), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: methyl 5-(4-methylphenyl)thiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-p-tolylthiophene-2-carboxylate
Property Insights of Methyl 5-p-tolylthiophene-2-carboxylate
The XLogP value of 3.51012 indicates that Methyl 5-p-tolylthiophene-2-carboxylate 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 5-p-tolylthiophene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-p-tolylthiophene-2-carboxylate has 0 hydrogen bond donor(s) and 3 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 5-p-tolylthiophene-2-carboxylate?
The CAS number of Methyl 5-p-tolylthiophene-2-carboxylate is 50971-49-8.
What is the molecular formula of Methyl 5-p-tolylthiophene-2-carboxylate?
The molecular formula of Methyl 5-p-tolylthiophene-2-carboxylate is C13H12O2S.
What is the molecular weight of Methyl 5-p-tolylthiophene-2-carboxylate?
The molecular weight of Methyl 5-p-tolylthiophene-2-carboxylate is 232.06 g/mol.
Where can I buy Methyl 5-p-tolylthiophene-2-carboxylate?
You can request a quote for Methyl 5-p-tolylthiophene-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 5-p-tolylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-p-tolylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.