![3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid structure](/static/products/911/91121-60-7.png)
3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid
TL;DR: 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid (CAS 91121-60-7) 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.
3-[4-(2-methylpropyl)phenyl]but-2-enoic acid
Also Known As: 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid, (E)-3-(4-(Isobutyl)phenyl)but-2-enoic acid, 3-(4-ISOBUTYLPHENYL)-2-BUTENOIC ACID, 2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]-, 2-Butenoic acid, 3-[4-(2-methylpropyl)phenyl]-
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.373 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 385.7013 |
Chemical Identifiers
| CAS Number | 91121-60-7 |
|---|---|
| SMILES | CC(C)CC1=CC=C(C=C1)C(=CC(=O)O)C |
Product Overview
3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid (CAS 91121-60-7), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: 3-[4-(2-methylpropyl)phenyl]but-2-enoic acid.
Chemical Property Profile of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid
Property Insights of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid
The XLogP value of 3.373 indicates that 3-[4-(2-methylpropyl)phenyl]but-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, 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2-methylpropyl)phenyl]but-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 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid?
The CAS number of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid is 91121-60-7.
What is the molecular formula of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid?
The molecular formula of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid is C14H18O2.
What is the molecular weight of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid?
The molecular weight of 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid is 218.13 g/mol.
Where can I buy 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid?
You can request a quote for 3-[4-(2-methylpropyl)phenyl]but-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 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-methylpropyl)phenyl]but-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.