4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
TL;DR: 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one (CAS 94201-75-9) is a chemical compound with molecular formula C15H22O and molecular weight 218.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4a-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
Also Known As: EINECS 303-664-2, 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one, 4,4a,5,6-tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2 -one, 4,4a-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one, 4,4a,5,6-Tetrahydro-4,4a-dimethyl-6-(1-methylethyl)naphthalen-2(3H)-one
| Molecular Formula | C15H22O |
|---|---|
| Molecular Weight | 218.17 g/mol |
| LogP | 3.7601 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.16707 |
| Heavy Atoms | 16 |
| Complexity | 361.63126 |
Chemical Identifiers
| CAS Number | 94201-75-9 |
|---|---|
| SMILES | CC1CC(=O)C=C2C1(CC(C=C2)C(C)C)C |
Product Overview
4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one (CAS 94201-75-9), with molecular formula C15H22O and molecular weight 218.17 g/mol. IUPAC: 4,4a-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one.
Chemical Property Profile of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
Property Insights of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one
The XLogP value of 3.7601 indicates that 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-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 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The CAS number of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one is 94201-75-9.
What is the molecular formula of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The molecular formula of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one is C15H22O.
What is the molecular weight of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
The molecular weight of 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one is 218.17 g/mol.
Where can I buy 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
You can request a quote for 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4a,5,6-Tetrahydro-6-isopropyl-4,4a-dimethylnaphthalene-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.