3,5-二烯丙基-4-羟基苯甲酸乙酯
TL;DR: 3,5-二烯丙基-4-羟基苯甲酸乙酯 (CAS 100311-34-0) 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.
3,5-二烯丙基-4-羟基苯甲酸乙酯
ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate
Also Known As: ethyl 3,5-diallyl-4-hydroxybenzoate, 3,5-Diallyl-4-hydroxybenzoic acid ethyl ester, BENZOIC ACID, 3,5-DIALLYL-4-HYDROXY-, ETHYL ESTER, 1-10-00-00143 (Beilstein Handbook Reference), ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 100311-34-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)CC=C)O)CC=C |
| InChIKey | JOUJVFQMMSBQQO-UHFFFAOYSA-N |
Product Overview
3,5-二烯丙基-4-羟基苯甲酸乙酯 (CAS 100311-34-0), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: ethyl 4-hydroxy-3,5-bis(prop-2-enyl)benzoate.
Chemical Property Profile of 3,5-二烯丙基-4-羟基苯甲酸乙酯
Property Insights of 3,5-二烯丙基-4-羟基苯甲酸乙酯
The XLogP value of 3.9 indicates that 3,5-二烯丙基-4-羟基苯甲酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3,5-二烯丙基-4-羟基苯甲酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二烯丙基-4-羟基苯甲酸乙酯 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 3,5-二烯丙基-4-羟基苯甲酸乙酯?
The CAS number of 3,5-二烯丙基-4-羟基苯甲酸乙酯 is 100311-34-0.
What is the molecular formula of 3,5-二烯丙基-4-羟基苯甲酸乙酯?
The molecular formula of 3,5-二烯丙基-4-羟基苯甲酸乙酯 is C15H18O3.
What is the molecular weight of 3,5-二烯丙基-4-羟基苯甲酸乙酯?
The molecular weight of 3,5-二烯丙基-4-羟基苯甲酸乙酯 is 246.13 g/mol.
Where can I buy 3,5-二烯丙基-4-羟基苯甲酸乙酯?
You can request a quote for 3,5-二烯丙基-4-羟基苯甲酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二烯丙基-4-羟基苯甲酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二烯丙基-4-羟基苯甲酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.