Salicylic acid, 3,5-diallyl-, methyl ester
TL;DR: Salicylic acid, 3,5-diallyl-, methyl ester (CAS 92252-07-8) 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-hydroxy-3,5-bis(prop-2-enyl)benzoate
Also Known As: Methyl 3,5-diallylsalicylate, 3,5-Diallylsalicylic acid methyl ester, Salicylic acid, 3,5-diallyl-, methyl ester, 1-10-00-00143 (Beilstein Handbook Reference), methyl 2-hydroxy-3,5-bis(prop-2-enyl)benzoate
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.6358 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 447.0257 |
Chemical Identifiers
| CAS Number | 92252-07-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1O)CC=C)CC=C |
Product Overview
Salicylic acid, 3,5-diallyl-, methyl ester (CAS 92252-07-8), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: methyl 2-hydroxy-3,5-bis(prop-2-enyl)benzoate.
Chemical Property Profile of Salicylic acid, 3,5-diallyl-, methyl ester
Property Insights of Salicylic acid, 3,5-diallyl-, methyl ester
The XLogP value of 2.6358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, 3,5-diallyl-, methyl ester. With a topological polar surface area (TPSA) of 46.53 Ų, Salicylic acid, 3,5-diallyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Salicylic acid, 3,5-diallyl-, methyl ester 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 Salicylic acid, 3,5-diallyl-, methyl ester?
The CAS number of Salicylic acid, 3,5-diallyl-, methyl ester is 92252-07-8.
What is the molecular formula of Salicylic acid, 3,5-diallyl-, methyl ester?
The molecular formula of Salicylic acid, 3,5-diallyl-, methyl ester is C14H16O3.
What is the molecular weight of Salicylic acid, 3,5-diallyl-, methyl ester?
The molecular weight of Salicylic acid, 3,5-diallyl-, methyl ester is 232.11 g/mol.
Where can I buy Salicylic acid, 3,5-diallyl-, methyl ester?
You can request a quote for Salicylic acid, 3,5-diallyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, 3,5-diallyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, 3,5-diallyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.