Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate
TL;DR: Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate (CAS 58437-70-0) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate
Also Known As: 2- ethylacetate, Stannane,bromochlorodiphenyl, EINECS 261-250-6, EINECS 218-754-6, EINECS 261-251-1
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 2.932 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 301.6578 |
Chemical Identifiers
| CAS Number | 58437-70-0 |
|---|---|
| SMILES | CC(=O)OC/C=C\1/C2CCC(C2)C1(C)C |
Product Overview
Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate (CAS 58437-70-0), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: [(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] acetate.
Chemical Property Profile of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate
Property Insights of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate
The XLogP value of 2.932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-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 Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate?
The CAS number of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate is 58437-70-0.
What is the molecular formula of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate?
The molecular formula of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate is C13H20O2.
What is the molecular weight of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate?
The molecular weight of Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate is 208.15 g/mol.
Where can I buy Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate?
You can request a quote for Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.