4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
TL;DR: 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one (CAS 55332-03-1) 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.
4a,5-dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Also Known As: 4a,5-dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one, 3-Isopropyl-4a,5-dimethyloctahydro-2(1H)-naphthalenone #, OCTAHYDRO-4A,5-DIMETHYL-3-ISOPROPYL-2(1H)-NAPHT*, 4a,5-dimethyl-3-(propan-2-yl)octahydronaphthalen-2(1H)-one, 2(1H)-Naphthalenone, octahydro-4a,5-dimethyl-3-(1-methylethyl)-, (3.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-
| Molecular Formula | C15H26O |
|---|---|
| Molecular Weight | 222.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.19836 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 55332-03-1 |
|---|---|
| SMILES | CC1CCCC2C1(CC(C(=O)C2)C(C)C)C |
| InChIKey | PWZSAANNPRLIRC-UHFFFAOYSA-N |
Product Overview
4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one (CAS 55332-03-1), with molecular formula C15H26O and molecular weight 222.20 g/mol. IUPAC: 4a,5-dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one.
Chemical Property Profile of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
Property Insights of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one
The XLogP value of 4.5 indicates that 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one 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 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one?
The CAS number of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one is 55332-03-1.
What is the molecular formula of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one?
The molecular formula of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one is C15H26O.
What is the molecular weight of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one?
The molecular weight of 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one is 222.20 g/mol.
Where can I buy 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one?
You can request a quote for 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4a,5-Dimethyl-3-propan-2-yl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.