2-(2-Thienyl)ethyl 2-methylbutyrate
TL;DR: 2-(2-Thienyl)ethyl 2-methylbutyrate (CAS 94135-74-7) is a chemical compound with molecular formula C11H16O2S and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-thiophen-2-ylethyl 2-methylbutanoate
Also Known As: 2-(2-Thienyl)ethyl 2-methylbutyrate, 2- ethyl2-methylbutyrate, EINECS 302-945-7, 2-thiophen-2-ylethyl 2-methylbutanoate, 2-(THIOPHEN-2-YL)ETHYL 2-METHYLBUTANOATE
| Molecular Formula | C11H16O2S |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.8799 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.0871 |
| Heavy Atoms | 14 |
| Complexity | 266.8247 |
Chemical Identifiers
| CAS Number | 94135-74-7 |
|---|---|
| SMILES | CCC(C)C(=O)OCCC1=CC=CS1 |
Product Overview
2-(2-Thienyl)ethyl 2-methylbutyrate (CAS 94135-74-7), with molecular formula C11H16O2S and molecular weight 212.09 g/mol. IUPAC: 2-thiophen-2-ylethyl 2-methylbutanoate.
Chemical Property Profile of 2-(2-Thienyl)ethyl 2-methylbutyrate
Property Insights of 2-(2-Thienyl)ethyl 2-methylbutyrate
The XLogP value of 2.8799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Thienyl)ethyl 2-methylbutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(2-Thienyl)ethyl 2-methylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Thienyl)ethyl 2-methylbutyrate 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-(2-Thienyl)ethyl 2-methylbutyrate?
The CAS number of 2-(2-Thienyl)ethyl 2-methylbutyrate is 94135-74-7.
What is the molecular formula of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The molecular formula of 2-(2-Thienyl)ethyl 2-methylbutyrate is C11H16O2S.
What is the molecular weight of 2-(2-Thienyl)ethyl 2-methylbutyrate?
The molecular weight of 2-(2-Thienyl)ethyl 2-methylbutyrate is 212.09 g/mol.
Where can I buy 2-(2-Thienyl)ethyl 2-methylbutyrate?
You can request a quote for 2-(2-Thienyl)ethyl 2-methylbutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Thienyl)ethyl 2-methylbutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Thienyl)ethyl 2-methylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.