Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester
TL;DR: Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester (CAS 35819-77-3) is a chemical compound with molecular formula C19H24O2 and molecular weight 284.18 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]hept-2-enyl)ethyl 2-phenylacetate
Also Known As: 2- ethylphenylacetate, 2-(6,6-Dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl phenylacetate, 2-(6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL)ETHYL PHENYLACETATE, Benzeneacetic acid, 2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)ethyl ester, Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester
| Molecular Formula | C19H24O2 |
|---|---|
| Molecular Weight | 284.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.17764 |
| Heavy Atoms | 21 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 35819-77-3 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)CCOC(=O)CC3=CC=CC=C3)C |
| InChIKey | FPJNFQPRCFYLDD-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester (CAS 35819-77-3), with molecular formula C19H24O2 and molecular weight 284.18 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester
Property Insights of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester
The XLogP value of 4.2 indicates that Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester has 0 hydrogen bond donor(s) and 2 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 Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester?
The CAS number of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester is 35819-77-3.
What is the molecular formula of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester?
The molecular formula of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester is C19H24O2.
What is the molecular weight of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester?
The molecular weight of Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester is 284.18 g/mol.
Where can I buy Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester?
You can request a quote for Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-(6,6-dimethylbicyclo(3.1.1)hept-2-en-2-yl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.