alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol
TL;DR: alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol (CAS 3608-17-1) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 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]heptanyl)ethanol
Also Known As: 3-(1-Hydroxy-aethyl)-caran, alpha,3,7,7-tetramethylbicyclo[4.1.0]heptane-4-methanol, 1-(3,7,7-trimethyl-4-bicyclo[4.1.0]heptanyl)ethanol, A,3,7,7-tetramethylbicyclo(4.1.0)heptane-4-methanol, alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 3608-17-1 |
|---|---|
| SMILES | CC1CC2C(C2(C)C)CC1C(C)O |
| InChIKey | KJTWLZQJNFGTAH-UHFFFAOYSA-N |
Product Overview
alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol (CAS 3608-17-1), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 1-(4,7,7-trimethyl-3-bicyclo[4.1.0]heptanyl)ethanol.
Chemical Property Profile of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol
Property Insights of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol
The XLogP value of 3.2 indicates that alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-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,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol?
The CAS number of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol is 3608-17-1.
What is the molecular formula of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol?
The molecular formula of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol is C12H22O.
What is the molecular weight of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol?
The molecular weight of alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol is 182.17 g/mol.
Where can I buy alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol?
You can request a quote for alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol?
Yes, KEHONG BIO provides custom synthesis services for alpha,3,7,7-Tetramethylbicyclo(4.1.0)heptane-4-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.