Methyl 4-(thiophen-2-yl)benzoate
TL;DR: Methyl 4-(thiophen-2-yl)benzoate (CAS 17595-86-7) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-thiophen-2-ylbenzoate
Also Known As: Methyl 4-(thiophen-2-yl)benzoate, Methyl 4-thiophen-2-ylbenzoate, methyl 4-(2-thienyl)benzoate, Methyl 4-thien-2-ylbenzoate, 4-Thiophen-2-ylbenzoic acid methyl ester
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 3.2017 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 442.98416 |
Chemical Identifiers
| CAS Number | 17595-86-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC=CS2 |
Product Overview
Methyl 4-(thiophen-2-yl)benzoate (CAS 17595-86-7), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: methyl 4-thiophen-2-ylbenzoate.
Chemical Property Profile of Methyl 4-(thiophen-2-yl)benzoate
Property Insights of Methyl 4-(thiophen-2-yl)benzoate
The XLogP value of 3.2017 indicates that Methyl 4-(thiophen-2-yl)benzoate 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 4-(thiophen-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(thiophen-2-yl)benzoate 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 4-(thiophen-2-yl)benzoate?
The CAS number of Methyl 4-(thiophen-2-yl)benzoate is 17595-86-7.
What is the molecular formula of Methyl 4-(thiophen-2-yl)benzoate?
The molecular formula of Methyl 4-(thiophen-2-yl)benzoate is C12H10O2S.
What is the molecular weight of Methyl 4-(thiophen-2-yl)benzoate?
The molecular weight of Methyl 4-(thiophen-2-yl)benzoate is 218.04 g/mol.
Where can I buy Methyl 4-(thiophen-2-yl)benzoate?
You can request a quote for Methyl 4-(thiophen-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(thiophen-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(thiophen-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.