2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate
TL;DR: 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate (CAS 79552-27-5) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 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 4-nitrobenzoate
Also Known As: 2-(7,7-DIMETHYLBICYCLO(3.1.1)HEPT-2-EN-2-YL)ETHYL 4-NITROBENZOATE, 2-(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl 4-nitrobenzoate, 2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl 4-nitrobenzoate, 660-499-1, RefChem:459294
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 4.1341 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 660.10406 |
Chemical Identifiers
| CAS Number | 79552-27-5 |
|---|---|
| SMILES | CC1(C2CC=C(C1C2)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C |
Product Overview
2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate (CAS 79552-27-5), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)ethyl 4-nitrobenzoate.
Chemical Property Profile of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate
Property Insights of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate
The XLogP value of 4.1341 indicates that 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate?
The CAS number of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate is 79552-27-5.
What is the molecular formula of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate?
The molecular formula of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate is C18H21NO4.
What is the molecular weight of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate?
The molecular weight of 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate is 315.15 g/mol.
Where can I buy 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate?
You can request a quote for 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(7,7-Dimethylbicyclo(3.1.1)hept-2-EN-2-YL)ethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.