(3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
TL;DR: (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one (CAS 72152-83-1) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
Also Known As: 5H-Inden-5-one, 7-butyloctahydro-, (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.572 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 209.2811 |
Chemical Identifiers
| CAS Number | 72152-83-1 |
|---|---|
| SMILES | CCCC[C@H]1CC(=O)C[C@H]2[C@H]1CCC2 |
Product Overview
(3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one (CAS 72152-83-1), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one.
Chemical Property Profile of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
Property Insights of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
The XLogP value of 3.572 indicates that (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-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, (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-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 (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one?
The CAS number of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one is 72152-83-1.
What is the molecular formula of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one?
The molecular formula of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one is C13H22O.
What is the molecular weight of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one?
The molecular weight of (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one is 194.17 g/mol.
Where can I buy (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one?
You can request a quote for (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one?
Yes, KEHONG BIO provides custom synthesis services for (3aS,7S,7aR)-7-butyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.