endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate
TL;DR: endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate (CAS 85586-66-9) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate
Also Known As: Bornyl isobutyrate, bornyl isobutanoate, Borneol isobutyrate, Isobornyl isobutyrate, (+-)-Borneol isobutyrate
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 85586-66-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1CC2CCC1(C2(C)C)C |
| InChIKey | KRKIAJBQOUBNSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate (CAS 85586-66-9), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylpropanoate.
Chemical Property Profile of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate
Property Insights of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate
The XLogP value of 4.3 indicates that endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate 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 endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate?
The CAS number of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate is 85586-66-9.
What is the molecular formula of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate?
The molecular formula of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate is C14H24O2.
What is the molecular weight of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate?
The molecular weight of endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate is 224.18 g/mol.
Where can I buy endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate?
You can request a quote for endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for endo-(-)-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.