(2E)-3-(4-pentylphenyl)prop-2-enoic acid
TL;DR: (2E)-3-(4-pentylphenyl)prop-2-enoic acid (CAS 85017-61-4) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-pentylphenyl)prop-2-enoic acid
Also Known As: (2E)-3-(4-pentylphenyl)prop-2-enoic acid, (E)-3-(4-pentylphenyl)prop-2-enoic acid, (E)-3-(4-PENTYLPHENYL)ACRYLIC ACID, 3-(4-pentylphenyl)prop-2-enoic Acid, (2E)-3-(4-pentylphenyl)prop-2-enoicacid
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.5171 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 349.50302 |
Chemical Identifiers
| CAS Number | 85017-61-4 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)/C=C/C(=O)O |
Product Overview
(2E)-3-(4-pentylphenyl)prop-2-enoic acid (CAS 85017-61-4), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: (E)-3-(4-pentylphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(4-pentylphenyl)prop-2-enoic acid
Property Insights of (2E)-3-(4-pentylphenyl)prop-2-enoic acid
The XLogP value of 3.5171 indicates that (2E)-3-(4-pentylphenyl)prop-2-enoic 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, (2E)-3-(4-pentylphenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-pentylphenyl)prop-2-enoic 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 (2E)-3-(4-pentylphenyl)prop-2-enoic acid?
The CAS number of (2E)-3-(4-pentylphenyl)prop-2-enoic acid is 85017-61-4.
What is the molecular formula of (2E)-3-(4-pentylphenyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(4-pentylphenyl)prop-2-enoic acid is C14H18O2.
What is the molecular weight of (2E)-3-(4-pentylphenyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(4-pentylphenyl)prop-2-enoic acid is 218.13 g/mol.
Where can I buy (2E)-3-(4-pentylphenyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(4-pentylphenyl)prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(4-pentylphenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-pentylphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.