4-Methoxyphenyl 3-methylbut-2-enoate
TL;DR: 4-Methoxyphenyl 3-methylbut-2-enoate (CAS 84347-77-3) 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-methoxyphenyl) 3-methylbut-2-enoate
Also Known As: 4-methoxyphenyl 3-methylbut-2-enoate, (4-methoxyphenyl) 3-methylbut-2-enoate, 4-methoxyphenyl 3-methyl-2-butenoate, 4'-methoxyphenyl 3-methylbut-2-enoate, 2-Butenoic acid, 3-methyl-, 4-methoxyphenyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 84347-77-3 |
|---|---|
| SMILES | CC(=CC(=O)OC1=CC=C(C=C1)OC)C |
| InChIKey | LYIMDMMPUGFSEH-UHFFFAOYSA-N |
Product Overview
4-Methoxyphenyl 3-methylbut-2-enoate (CAS 84347-77-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: (4-methoxyphenyl) 3-methylbut-2-enoate.
Chemical Property Profile of 4-Methoxyphenyl 3-methylbut-2-enoate
Property Insights of 4-Methoxyphenyl 3-methylbut-2-enoate
The XLogP value of 3.0 indicates that 4-Methoxyphenyl 3-methylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methoxyphenyl 3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl 3-methylbut-2-enoate has 0 hydrogen bond donor(s) and 3 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-Methoxyphenyl 3-methylbut-2-enoate?
The CAS number of 4-Methoxyphenyl 3-methylbut-2-enoate is 84347-77-3.
What is the molecular formula of 4-Methoxyphenyl 3-methylbut-2-enoate?
The molecular formula of 4-Methoxyphenyl 3-methylbut-2-enoate is C12H14O3.
What is the molecular weight of 4-Methoxyphenyl 3-methylbut-2-enoate?
The molecular weight of 4-Methoxyphenyl 3-methylbut-2-enoate is 206.09 g/mol.
Where can I buy 4-Methoxyphenyl 3-methylbut-2-enoate?
You can request a quote for 4-Methoxyphenyl 3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl 3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl 3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.