Methyl 3-allyl-2-(allyloxy)benzoate
TL;DR: Methyl 3-allyl-2-(allyloxy)benzoate (CAS 89282-03-1) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-prop-2-enoxy-3-prop-2-enylbenzoate
Also Known As: Methyl 3-allyl-2-(allyloxy)benzoate, NCIOpen2_003351, NIOSH/DG0953000, methyl 2-prop-2-enoxy-3-prop-2-enylbenzoate, Benzoic acid, 3-allyl-2-(allyloxy)-, methyl ester
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 89282-03-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1OCC=C)CC=C |
| InChIKey | YIBVZKMTJHJOND-UHFFFAOYSA-N |
Product Overview
Methyl 3-allyl-2-(allyloxy)benzoate (CAS 89282-03-1), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: methyl 2-prop-2-enoxy-3-prop-2-enylbenzoate.
Chemical Property Profile of Methyl 3-allyl-2-(allyloxy)benzoate
Property Insights of Methyl 3-allyl-2-(allyloxy)benzoate
The XLogP value of 3.5 indicates that Methyl 3-allyl-2-(allyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 3-allyl-2-(allyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-allyl-2-(allyloxy)benzoate 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 Methyl 3-allyl-2-(allyloxy)benzoate?
The CAS number of Methyl 3-allyl-2-(allyloxy)benzoate is 89282-03-1.
What is the molecular formula of Methyl 3-allyl-2-(allyloxy)benzoate?
The molecular formula of Methyl 3-allyl-2-(allyloxy)benzoate is C14H16O3.
What is the molecular weight of Methyl 3-allyl-2-(allyloxy)benzoate?
The molecular weight of Methyl 3-allyl-2-(allyloxy)benzoate is 232.11 g/mol.
Where can I buy Methyl 3-allyl-2-(allyloxy)benzoate?
You can request a quote for Methyl 3-allyl-2-(allyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-allyl-2-(allyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-allyl-2-(allyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.