3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one
TL;DR: 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one (CAS 84604-61-5) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-2-one
Also Known As: EINECS 283-343-0, 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one, 3-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-2-one, 3,3a,4,5,6,7-Hexahydro-1-(1-methylethyl)-2H-inden-2-one, 3-(Propan-2-yl)-1,4,5,6,7,7a-hexahydro-2H-inden-2-one
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.102 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 260.29803 |
Chemical Identifiers
| CAS Number | 84604-61-5 |
|---|---|
| SMILES | CC(C)C1=C2CCCCC2CC1=O |
Product Overview
3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one (CAS 84604-61-5), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-propan-2-yl-1,4,5,6,7,7a-hexahydroinden-2-one.
Chemical Property Profile of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one
Property Insights of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one
The XLogP value of 3.102 indicates that 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-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, 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-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 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one?
The CAS number of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one is 84604-61-5.
What is the molecular formula of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one?
The molecular formula of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one is C12H18O.
What is the molecular weight of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one?
The molecular weight of 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one is 178.14 g/mol.
Where can I buy 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one?
You can request a quote for 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3a,4,5,6,7-Hexahydro-1-isopropyl-2H-inden-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.