alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol
TL;DR: alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol (CAS 67800-82-2) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)propan-1-ol
Also Known As: 1-(2-Caren-4-yl)propan-1-ol, Bicyclo[4.1.0]hept-4-ene-3-methanol, .alpha.-ethyl-4,7,7-trimethyl-, alpha-Ethyl-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene-3-methanol, Bicyclo(4.1.0)hept-4-ene-3-methanol, alpha-ethyl-4,7,7-trimethyl-, alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 67800-82-2 |
|---|---|
| SMILES | CCC(C1CC2C(C2(C)C)C=C1C)O |
| InChIKey | CROUXCFPFDNCIO-UHFFFAOYSA-N |
Product Overview
alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol (CAS 67800-82-2), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)propan-1-ol.
Chemical Property Profile of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol
Property Insights of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol. With a topological polar surface area (TPSA) of 20.2 Ų, alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol has 1 hydrogen bond donor(s) and 1 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 alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol?
The CAS number of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol is 67800-82-2.
What is the molecular formula of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol?
The molecular formula of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol is C13H22O.
What is the molecular weight of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol?
The molecular weight of alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol is 194.17 g/mol.
Where can I buy alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol?
You can request a quote for alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethyl-4,7,7-trimethylbicyclo(4.1.0)hept-4-ene-3-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.