3,5-二烯丙基-4-羟基苯甲酸
TL;DR: 3,5-二烯丙基-4-羟基苯甲酸 (CAS 100311-33-9) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 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
4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid
Also Known As: 3,5-Diallyl-4-hydroxybenzoic acid, BENZOIC ACID, 3,5-DIALLYL-4-HYDROXY-, 4-10-00-01129 (Beilstein Handbook Reference), 4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid, 4-hydroxy-3,5-di(prop-2-en-1-yl)benzoic acid
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 100311-33-9 |
|---|---|
| SMILES | C=CCC1=CC(=CC(=C1O)CC=C)C(=O)O |
| InChIKey | QIQJOLWVADYXBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二烯丙基-4-羟基苯甲酸 (CAS 100311-33-9), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4-hydroxy-3,5-bis(prop-2-enyl)benzoic acid.
Chemical Property Profile of 3,5-二烯丙基-4-羟基苯甲酸
Property Insights of 3,5-二烯丙基-4-羟基苯甲酸
The XLogP value of 3.2 indicates that 3,5-二烯丙基-4-羟基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-二烯丙基-4-羟基苯甲酸 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 has 2 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?
The CAS number of 3,5-二烯丙基-4-羟基苯甲酸 is 100311-33-9.
What is the molecular formula of 3,5-二烯丙基-4-羟基苯甲酸?
The molecular formula of 3,5-二烯丙基-4-羟基苯甲酸 is C13H14O3.
What is the molecular weight of 3,5-二烯丙基-4-羟基苯甲酸?
The molecular weight of 3,5-二烯丙基-4-羟基苯甲酸 is 218.09 g/mol.
Where can I buy 3,5-二烯丙基-4-羟基苯甲酸?
You can request a quote for 3,5-二烯丙基-4-羟基苯甲酸 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?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二烯丙基-4-羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.