Benzyl 3-thienylacetate
TL;DR: Benzyl 3-thienylacetate (CAS 50893-37-3) 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-3-ylacetate
Also Known As: Benzyl 3-thienylacetate, benzyl3-thienylacetate, benzyl 2-thiophen-3-ylacetate, EINECS 256-833-7, Benzyl (thiophen-3-yl)acetate
| Molecular Formula | C13H12O2S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 3.034 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0558 |
| Heavy Atoms | 16 |
| Complexity | 434.22086 |
Chemical Identifiers
| CAS Number | 50893-37-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CC2=CSC=C2 |
Product Overview
Benzyl 3-thienylacetate (CAS 50893-37-3), with molecular formula C13H12O2S and molecular weight 232.06 g/mol. IUPAC: benzyl 2-thiophen-3-ylacetate.
Chemical Property Profile of Benzyl 3-thienylacetate
Property Insights of Benzyl 3-thienylacetate
The XLogP value of 3.034 indicates that Benzyl 3-thienylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 3-thienylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-thienylacetate 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 Benzyl 3-thienylacetate?
The CAS number of Benzyl 3-thienylacetate is 50893-37-3.
What is the molecular formula of Benzyl 3-thienylacetate?
The molecular formula of Benzyl 3-thienylacetate is C13H12O2S.
What is the molecular weight of Benzyl 3-thienylacetate?
The molecular weight of Benzyl 3-thienylacetate is 232.06 g/mol.
Where can I buy Benzyl 3-thienylacetate?
You can request a quote for Benzyl 3-thienylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-thienylacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-thienylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.