![Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester structure](/static/products/5475/54751-71-2.webp)
Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
TL;DR: Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester (CAS 54751-71-2) is a chemical compound with molecular formula C11H20O4S and molecular weight 248.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylpentanoate
Also Known As: 4-[ thio]pentanoicacidethylester, Ethyl 4-[(2-ethoxy-2-oxoethyl)sulfanyl]pentanoate, ethyl 4-((2-ethoxy-2-oxoethyl)thio)pentanoate, ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylpentanoate, 4-[(2-Ethoxy-2-oxoethyl)thio]pentanoic acid ethyl ester
| Molecular Formula | C11H20O4S |
|---|---|
| Molecular Weight | 248.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.10823 |
| Heavy Atoms | 16 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 54751-71-2 |
|---|---|
| SMILES | CCOC(=O)CCC(C)SCC(=O)OCC |
| InChIKey | ADEVUMSKUFQWSV-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester (CAS 54751-71-2), with molecular formula C11H20O4S and molecular weight 248.11 g/mol. IUPAC: ethyl 4-(2-ethoxy-2-oxoethyl)sulfanylpentanoate.
Chemical Property Profile of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
Property Insights of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester. Following Lipinski's Rule of Five, Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester?
The CAS number of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester is 54751-71-2.
What is the molecular formula of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester?
The molecular formula of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester is C11H20O4S.
What is the molecular weight of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester?
The molecular weight of Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester is 248.11 g/mol.
Where can I buy Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester?
You can request a quote for Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 4-[(2-ethoxy-2-oxoethyl)thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.