Benzenebutanoic acid, 4-acetyl-
TL;DR: Benzenebutanoic acid, 4-acetyl- (CAS 100117-48-4) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-acetylphenyl)butanoic acid
Also Known As: Benzenebutanoic acid, 4-acetyl-, 4-(4-acetylphenyl)butanoic acid, 4-acetylBenzenebutanoic acid, Benzenebutanoic acid,4-acetyl, RefChem:324403
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.2965 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 351.63492 |
Chemical Identifiers
| CAS Number | 100117-48-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)CCCC(=O)O |
Product Overview
Benzenebutanoic acid, 4-acetyl- (CAS 100117-48-4), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4-(4-acetylphenyl)butanoic acid.
Chemical Property Profile of Benzenebutanoic acid, 4-acetyl-
Property Insights of Benzenebutanoic acid, 4-acetyl-
The XLogP value of 2.2965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenebutanoic acid, 4-acetyl-. With a topological polar surface area (TPSA) of 54.37 Ų, Benzenebutanoic acid, 4-acetyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenebutanoic acid, 4-acetyl- has 1 hydrogen bond donor(s) and 2 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 Benzenebutanoic acid, 4-acetyl-?
The CAS number of Benzenebutanoic acid, 4-acetyl- is 100117-48-4.
What is the molecular formula of Benzenebutanoic acid, 4-acetyl-?
The molecular formula of Benzenebutanoic acid, 4-acetyl- is C12H14O3.
What is the molecular weight of Benzenebutanoic acid, 4-acetyl-?
The molecular weight of Benzenebutanoic acid, 4-acetyl- is 206.09 g/mol.
Where can I buy Benzenebutanoic acid, 4-acetyl-?
You can request a quote for Benzenebutanoic acid, 4-acetyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, 4-acetyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, 4-acetyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.