![2-[4-(3-Methylbutyl)phenyl]propanoic acid structure](/static/products/644/64451-77-0.png)
2-[4-(3-Methylbutyl)phenyl]propanoic acid
TL;DR: 2-[4-(3-Methylbutyl)phenyl]propanoic acid (CAS 64451-77-0) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(3-methylbutyl)phenyl]propanoic acid
Also Known As: 2-[4-(3-methylbutyl)phenyl]propanoic Acid, Benzeneacetic acid, -alpha--methyl-4-(3-methylbutyl)- (9CI)
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.4633 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 338.2579 |
Chemical Identifiers
| CAS Number | 64451-77-0 |
|---|---|
| SMILES | CC(C)CCC1=CC=C(C=C1)C(C)C(=O)O |
Product Overview
2-[4-(3-Methylbutyl)phenyl]propanoic acid (CAS 64451-77-0), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 2-[4-(3-methylbutyl)phenyl]propanoic acid.
Chemical Property Profile of 2-[4-(3-Methylbutyl)phenyl]propanoic acid
Property Insights of 2-[4-(3-Methylbutyl)phenyl]propanoic acid
The XLogP value of 3.4633 indicates that 2-[4-(3-Methylbutyl)phenyl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[4-(3-Methylbutyl)phenyl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(3-Methylbutyl)phenyl]propanoic acid has 1 hydrogen bond donor(s) and 1 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 2-[4-(3-Methylbutyl)phenyl]propanoic acid?
The CAS number of 2-[4-(3-Methylbutyl)phenyl]propanoic acid is 64451-77-0.
What is the molecular formula of 2-[4-(3-Methylbutyl)phenyl]propanoic acid?
The molecular formula of 2-[4-(3-Methylbutyl)phenyl]propanoic acid is C14H20O2.
What is the molecular weight of 2-[4-(3-Methylbutyl)phenyl]propanoic acid?
The molecular weight of 2-[4-(3-Methylbutyl)phenyl]propanoic acid is 220.15 g/mol.
Where can I buy 2-[4-(3-Methylbutyl)phenyl]propanoic acid?
You can request a quote for 2-[4-(3-Methylbutyl)phenyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(3-Methylbutyl)phenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(3-Methylbutyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.