![Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate structure](/static/products/7270/72704-01-9.webp)
Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
TL;DR: Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate (CAS 72704-01-9) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
Also Known As: 2-Propenoic acid,3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-, methyl ester, (2E)-
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 72704-01-9 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC(=C1)C=CC(=O)OC)O)C |
| InChIKey | LZEOAWXRNGQEHO-UHFFFAOYSA-N |
Product Overview
Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate (CAS 72704-01-9), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate.
Chemical Property Profile of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
Property Insights of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
The XLogP value of 3.8 indicates that Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate has 1 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 Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate?
The CAS number of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate is 72704-01-9.
What is the molecular formula of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate?
The molecular formula of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate is C15H18O3.
What is the molecular weight of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate?
The molecular weight of Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate is 246.13 g/mol.
Where can I buy Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate?
You can request a quote for Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.