4-n-Pentylphenylacetic acid
TL;DR: 4-n-Pentylphenylacetic acid (CAS 14377-21-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-pentylphenyl)acetic acid
Also Known As: 2-(4-pentylphenyl)acetic acid, 4-n-Pentylphenylacetic acid, 4-Pentylphenylacetic acid, 4-Pentylphenyl acetic acid, benzeneacetic acid, 4-pentyl-
Technical Specifications
| Molecular Formula | C13H18O2 |
| Molecular Weight | 206.13068 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 Da |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
| SMILES | CCCCCC1=CC=C(C=C1)CC(=O)O |
| InChIKey | YAAVVJAWWNQMCY-UHFFFAOYSA-N |
Chemical Property Profile of 4-n-Pentylphenylacetic acid
Property Insights of 4-n-Pentylphenylacetic acid
The XLogP value of 3.9 indicates that 4-n-Pentylphenylacetic 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, 4-n-Pentylphenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-n-Pentylphenylacetic 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
What is the CAS number of 4-n-Pentylphenylacetic acid?
The CAS number of 4-n-Pentylphenylacetic acid is 14377-21-0.
What is the molecular formula of 4-n-Pentylphenylacetic acid?
The molecular formula of 4-n-Pentylphenylacetic acid is C13H18O2.
What is the molecular weight of 4-n-Pentylphenylacetic acid?
The molecular weight of 4-n-Pentylphenylacetic acid is 206.13068 g/mol.
Where can I buy 4-n-Pentylphenylacetic acid?
You can request a quote for 4-n-Pentylphenylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-n-Pentylphenylacetic acid?
Yes, CoreyChem provides custom synthesis services for 4-n-Pentylphenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.