5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-
TL;DR: 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- (CAS 66708-27-8) is a chemical compound with molecular formula C14H24O and molecular weight 208.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7a-methyl-3-(2-methylpropyl)-2,3,3a,4,6,7-hexahydro-1H-inden-5-one
Also Known As: 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-, 3-Isobutyl-7a-methyloctahydro-5H-inden-5-one #, 3-isobutyl-7a-methylhexahydro-1H-inden-5(6H)-one, 6-Methyl-9-(2'-methylpropyl)bicyclo[4.3.0]nonan-3-one, 7a-methyl-3-(2-methylpropyl)-octahydro-1H-inden-5-one
| Molecular Formula | C14H24O |
|---|---|
| Molecular Weight | 208.18 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.18271 |
| Heavy Atoms | 15 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 66708-27-8 |
|---|---|
| SMILES | CC(C)CC1CCC2(C1CC(=O)CC2)C |
| InChIKey | ILZWNPVNBUKZPU-UHFFFAOYSA-N |
Product Overview
5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- (CAS 66708-27-8), with molecular formula C14H24O and molecular weight 208.18 g/mol. IUPAC: 7a-methyl-3-(2-methylpropyl)-2,3,3a,4,6,7-hexahydro-1H-inden-5-one.
Chemical Property Profile of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-
Property Insights of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-
The XLogP value of 3.9 indicates that 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- 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 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-?
The CAS number of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- is 66708-27-8.
What is the molecular formula of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-?
The molecular formula of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- is C14H24O.
What is the molecular weight of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-?
The molecular weight of 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- is 208.18 g/mol.
Where can I buy 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-?
You can request a quote for 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Inden-5-one, octahydro-7a-methyl-3-(2-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.