1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate
TL;DR: 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate (CAS 22497-09-2) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl acetate
Also Known As: 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate, 2-(5-bicyclo[2.2.1]hept-2-enyl)propan-2-yl acetate, 2-(bicyclo[2.2.1]hept-5-en-2-yl)propan-2-yl acetate, 2-(6-Bicyclo[2.2.1]hept-2-enyl)propan-2-yl acetate, 1-BICYCLO[2.2.1]HEPT-5-EN-2-YL-1-METHYLETHYL ACETATE
| Molecular Formula | C12H18O2 |
|---|---|
| Molecular Weight | 194.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.13068 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 22497-09-2 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C1CC2CC1C=C2 |
| InChIKey | ZFKZNKMNPKUCKM-UHFFFAOYSA-N |
Product Overview
1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate (CAS 22497-09-2), with molecular formula C12H18O2 and molecular weight 194.13 g/mol. IUPAC: 2-(2-bicyclo[2.2.1]hept-5-enyl)propan-2-yl acetate.
Chemical Property Profile of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate
Property Insights of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl 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-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate?
The CAS number of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate is 22497-09-2.
What is the molecular formula of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate?
The molecular formula of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate is C12H18O2.
What is the molecular weight of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate?
The molecular weight of 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate is 194.13 g/mol.
Where can I buy 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate?
You can request a quote for 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Bicyclo(2.2.1)hept-5-en-2-yl-1-methylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.