3-(4-Methoxyphenyl)-4-methylpentanoic acid
TL;DR: 3-(4-Methoxyphenyl)-4-methylpentanoic acid (CAS 39510-08-2) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-4-methylpentanoic acid
Also Known As: 3-(4-methoxyphenyl)-4-methylpentanoic acid, 3-(4-methoxyphenyl)-4-methyl-pentanoic Acid
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 2.9095 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 340.70026 |
Chemical Identifiers
| CAS Number | 39510-08-2 |
|---|---|
| SMILES | CC(C)C(CC(=O)O)C1=CC=C(C=C1)OC |
Product Overview
3-(4-Methoxyphenyl)-4-methylpentanoic acid (CAS 39510-08-2), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: 3-(4-methoxyphenyl)-4-methylpentanoic acid.
Chemical Property Profile of 3-(4-Methoxyphenyl)-4-methylpentanoic acid
Property Insights of 3-(4-Methoxyphenyl)-4-methylpentanoic acid
The XLogP value of 2.9095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)-4-methylpentanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-(4-Methoxyphenyl)-4-methylpentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)-4-methylpentanoic acid 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 3-(4-Methoxyphenyl)-4-methylpentanoic acid?
The CAS number of 3-(4-Methoxyphenyl)-4-methylpentanoic acid is 39510-08-2.
What is the molecular formula of 3-(4-Methoxyphenyl)-4-methylpentanoic acid?
The molecular formula of 3-(4-Methoxyphenyl)-4-methylpentanoic acid is C13H18O3.
What is the molecular weight of 3-(4-Methoxyphenyl)-4-methylpentanoic acid?
The molecular weight of 3-(4-Methoxyphenyl)-4-methylpentanoic acid is 222.13 g/mol.
Where can I buy 3-(4-Methoxyphenyl)-4-methylpentanoic acid?
You can request a quote for 3-(4-Methoxyphenyl)-4-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.