Butyl 3-thienylacetate
TL;DR: Butyl 3-thienylacetate (CAS 94023-52-6) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-thiophen-3-ylacetate
Also Known As: Butyl 3-thienylacetate, butyl3-thienylacetate, butyl 2-thiophen-3-ylacetate, EINECS 301-650-0, BUTYL 3-THIOPHENEACETATE
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.6339 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 241.43724 |
Chemical Identifiers
| CAS Number | 94023-52-6 |
|---|---|
| SMILES | CCCCOC(=O)CC1=CSC=C1 |
Product Overview
Butyl 3-thienylacetate (CAS 94023-52-6), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: butyl 2-thiophen-3-ylacetate.
Chemical Property Profile of Butyl 3-thienylacetate
Property Insights of Butyl 3-thienylacetate
The XLogP value of 2.6339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 3-thienylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3-thienylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 3-thienylacetate?
The CAS number of Butyl 3-thienylacetate is 94023-52-6.
What is the molecular formula of Butyl 3-thienylacetate?
The molecular formula of Butyl 3-thienylacetate is C10H14O2S.
What is the molecular weight of Butyl 3-thienylacetate?
The molecular weight of Butyl 3-thienylacetate is 198.07 g/mol.
Where can I buy Butyl 3-thienylacetate?
You can request a quote for Butyl 3-thienylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-thienylacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-thienylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.