2-Thiopheneacetic acid, phenylmethyl ester
TL;DR: 2-Thiopheneacetic acid, phenylmethyl ester (CAS 58416-23-2) 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.
benzyl 2-thiophen-2-ylacetate
Also Known As: Benzyl 2-thienylacetate, Benzyl 2-thienylacetate #, benzyl 2-thiophen-2-ylacetate, Benzyl (thiophen-2-yl)acetate, 2-Thiopheneacetic acid, phenylmethyl ester
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 58416-23-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC2=CC=CS2 |
| InChIKey | INAOLJFAUXIMFC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiopheneacetic acid, phenylmethyl ester (CAS 58416-23-2), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: benzyl 2-thiophen-2-ylacetate.
Chemical Property Profile of 2-Thiopheneacetic acid, phenylmethyl ester
Property Insights of 2-Thiopheneacetic acid, phenylmethyl ester
The XLogP value of 3.0 indicates that 2-Thiopheneacetic acid, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 2-Thiopheneacetic acid, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiopheneacetic acid, phenylmethyl ester 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 2-Thiopheneacetic acid, phenylmethyl ester?
The CAS number of 2-Thiopheneacetic acid, phenylmethyl ester is 58416-23-2.
What is the molecular formula of 2-Thiopheneacetic acid, phenylmethyl ester?
The molecular formula of 2-Thiopheneacetic acid, phenylmethyl ester is C13H12O2S.
What is the molecular weight of 2-Thiopheneacetic acid, phenylmethyl ester?
The molecular weight of 2-Thiopheneacetic acid, phenylmethyl ester is 232.06 g/mol.
Where can I buy 2-Thiopheneacetic acid, phenylmethyl ester?
You can request a quote for 2-Thiopheneacetic acid, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiopheneacetic acid, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiopheneacetic acid, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.