![2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate structure](/static/products/5795/579-52-2.webp)
2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate
TL;DR: 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate (CAS 579-52-2) is a chemical compound with molecular formula C18H24O3 and molecular weight 288.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl 2-hydroxybenzoate
Also Known As: 1-nitromethyl-1-cyclohexene, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-yl)ethyl 2-hydroxybenzoate, 2-(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)ethyl 2-hydroxybenzoate, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate, 2-HYDROXYBENZOIC ACID, 2-(2-NORPINYL)ETHYL ESTER
| Molecular Formula | C18H24O3 |
|---|---|
| Molecular Weight | 288.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.17255 |
| Heavy Atoms | 21 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 579-52-2 |
|---|---|
| SMILES | CC1(C2CCC(C1C2)CCOC(=O)C3=CC=CC=C3O)C |
| InChIKey | GDPBFLNTKYRSFR-UHFFFAOYSA-N |
Product Overview
2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate (CAS 579-52-2), with molecular formula C18H24O3 and molecular weight 288.17 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethyl 2-hydroxybenzoate.
Chemical Property Profile of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate
Property Insights of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate
The XLogP value of 5.5 indicates that 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate?
The CAS number of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate is 579-52-2.
What is the molecular formula of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate?
The molecular formula of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate is C18H24O3.
What is the molecular weight of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate?
The molecular weight of 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate is 288.17 g/mol.
Where can I buy 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate?
You can request a quote for 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)ethyl 2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.