Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-
TL;DR: Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- (CAS 77614-41-6) is a chemical compound with molecular formula C16H16O3S and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(5-ethylthiophene-2-carbonyl)phenyl]propanoic acid
Also Known As: 2-[4-(5-ethylthiophene-2-carbonyl)phenyl]propanoic acid, 4-((5-Ethyl-2-thienyl)carbonyl)-alpha-methylbenzeneacetic acid, Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-, Benzeneacetic acid,4-[(5-ethyl-2-thienyl)carbonyl]-a-methyl-, RefChem:324152
| Molecular Formula | C16H16O3S |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 3.7296 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.082 |
| Heavy Atoms | 20 |
| Complexity | 625.42645 |
Chemical Identifiers
| CAS Number | 77614-41-6 |
|---|---|
| SMILES | CCC1=CC=C(S1)C(=O)C2=CC=C(C=C2)C(C)C(=O)O |
Product Overview
Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- (CAS 77614-41-6), with molecular formula C16H16O3S and molecular weight 288.08 g/mol. IUPAC: 2-[4-(5-ethylthiophene-2-carbonyl)phenyl]propanoic acid.
Chemical Property Profile of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-
Property Insights of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-
The XLogP value of 3.7296 indicates that Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- has 1 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 Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-?
The CAS number of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- is 77614-41-6.
What is the molecular formula of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-?
The molecular formula of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- is C16H16O3S.
What is the molecular weight of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-?
The molecular weight of Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- is 288.08 g/mol.
Where can I buy Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-?
You can request a quote for Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-((5-ethyl-2-thienyl)carbonyl)-alpha-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.