(4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol
TL;DR: (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol (CAS 16981-80-9) is a chemical compound with molecular formula C15H24O and molecular weight 220.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(7S,10R)-10,11,11-trimethyl-4-tricyclo[5.3.1.01,5]undec-4-enyl]methanol
Also Known As: (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol, [(4R,7S)-4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl]methanol
| Molecular Formula | C15H24O |
|---|---|
| Molecular Weight | 220.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.18271 |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 16981-80-9 |
|---|---|
| SMILES | C[C@@H]1CC[C@H]2CC3=C(CCC13C2(C)C)CO |
| InChIKey | LMCIYJPGIPULLI-QEQOOXKLSA-N |
Product Overview
(4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol (CAS 16981-80-9), with molecular formula C15H24O and molecular weight 220.18 g/mol. IUPAC: [(7S,10R)-10,11,11-trimethyl-4-tricyclo[5.3.1.01,5]undec-4-enyl]methanol.
Chemical Property Profile of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol
Property Insights of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol
The XLogP value of 3.1 indicates that (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)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, (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)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 (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol?
The CAS number of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol is 16981-80-9.
What is the molecular formula of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol?
The molecular formula of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol is C15H24O.
What is the molecular weight of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol?
The molecular weight of (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol is 220.18 g/mol.
Where can I buy (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol?
You can request a quote for (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (4,9,9-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-methanoazulen-1-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.