![1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate structure](/static/products/6203/62034-03-1.webp)
1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate
TL;DR: 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate (CAS 62034-03-1) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
Also Known As: Isofenchyl acetate, EINECS 263-379-3, 1,5,5-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL ACETATE, 1,5,5-Trimethylbicyclo(2.2.1)hept-2-yl acetate, (1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 62034-03-1 |
|---|---|
| SMILES | CC(=O)OC1CC2CC1(CC2(C)C)C |
| InChIKey | LHDGZUJXYWVZNA-UHFFFAOYSA-N |
Product Overview
1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate (CAS 62034-03-1), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: (1,5,5-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate.
Chemical Property Profile of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate
Property Insights of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate 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 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate?
The CAS number of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate is 62034-03-1.
What is the molecular formula of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate?
The molecular formula of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate is C12H20O2.
What is the molecular weight of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate?
The molecular weight of 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate is 196.15 g/mol.
Where can I buy 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate?
You can request a quote for 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,5,5-Trimethylbicyclo[2.2.1]hept-2-YL acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.