m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
TL;DR: m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid (CAS 7146-75-0) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-hydroxyphenyl)-5-oxohexan-3-yl]benzoic acid
Also Known As: 3-[4-(4-hydroxyphenyl)-5-oxohexan-3-yl]benzoic acid, m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid, J2.790.738E, 3-[1-ethyl-2-(4-hydroxyphenyl)-3-oxobutyl]benzoic acid, Benzoic acid,3-[1-ethyl-2-(4-hydroxyphenyl)-3-oxobutyl]-
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 7146-75-0 |
|---|---|
| SMILES | CCC(C1=CC(=CC=C1)C(=O)O)C(C2=CC=C(C=C2)O)C(=O)C |
| InChIKey | SQTDYMQRTGUSGR-UHFFFAOYSA-N |
Product Overview
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid (CAS 7146-75-0), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: 3-[4-(4-hydroxyphenyl)-5-oxohexan-3-yl]benzoic acid.
Chemical Property Profile of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
Property Insights of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
The XLogP value of 3.6 indicates that m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid. Following Lipinski's Rule of Five, m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid has 2 hydrogen bond donor(s) and 4 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 m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid?
The CAS number of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid is 7146-75-0.
What is the molecular formula of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid?
The molecular formula of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid is C19H20O4.
What is the molecular weight of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid?
The molecular weight of m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid is 312.14 g/mol.
Where can I buy m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid?
You can request a quote for m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.