4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid
TL;DR: 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid (CAS 91121-48-1) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
Also Known As: 4-(4-methoxyphenyl)-3-methyl-3-butenoic acid, 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid, 4-(4-methoxyphenyl)-3-methyl-but-3-enoic Acid
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.5732 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 362.95856 |
Chemical Identifiers
| CAS Number | 91121-48-1 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)OC)CC(=O)O |
Product Overview
4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid (CAS 91121-48-1), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 4-(4-methoxyphenyl)-3-methylbut-3-enoic acid.
Chemical Property Profile of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid
Property Insights of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid
The XLogP value of 2.5732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-3-methylbut-3-enoic 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 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid?
The CAS number of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid is 91121-48-1.
What is the molecular formula of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid?
The molecular formula of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid is C12H14O3.
What is the molecular weight of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid?
The molecular weight of 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid is 206.09 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid?
You can request a quote for 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-3-methylbut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.