4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene
TL;DR: 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene (CAS 87641-23-4) is a chemical compound with molecular formula C15H26O and molecular weight 222.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one
Also Known As: 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene, Ethanone, 1-(2,3,4,5,6,7-hexahydro-1,1,3-trimethyl-1H-inden-5-yl)-, 1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 4.064 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 279.15955 |
Chemical Identifiers
| CAS Number | 87641-23-4 |
|---|---|
| SMILES | C[C@@H]1CC([C@H]2[C@H]1C[C@@H](CC2)CC(=O)C)(C)C |
Product Overview
4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene (CAS 87641-23-4), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: 1-[(3R,3aS,5R,7aR)-1,1,3-trimethyl-2,3,3a,4,5,6,7,7a-octahydroinden-5-yl]propan-2-one.
Chemical Property Profile of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene
Property Insights of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene
The XLogP value of 4.064 indicates that 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene has 0 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(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene?
The CAS number of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene is 87641-23-4.
What is the molecular formula of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene?
The molecular formula of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene is C15H26O.
What is the molecular weight of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene?
The molecular weight of 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene is 222.20 g/mol.
Where can I buy 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene?
You can request a quote for 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene?
Yes, KEHONG BIO provides custom synthesis services for 4(5)-Acetyl-7,7,9(7,9,9)-trimethylbicyclonon-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.