5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one
TL;DR: 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one (CAS 94278-41-8) is a chemical compound with molecular formula C14H22O and molecular weight 206.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-methyl-2,3,4,5,6,7-hexahydroinden-1-one
Also Known As: EINECS 304-731-9, 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one, 5-2,3,4,5,6,7-hexahydro-2-methyl-1h-inden-1-one, 5-tert-Butyl-2-methyl-2,3,4,5,6,7-hexahydro-1H-inden-1-one, 5- -2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one
| Molecular Formula | C14H22O |
|---|---|
| Molecular Weight | 206.17 g/mol |
| LogP | 3.7381 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.16707 |
| Heavy Atoms | 15 |
| Complexity | 316.72064 |
Chemical Identifiers
| CAS Number | 94278-41-8 |
|---|---|
| SMILES | CC1CC2=C(C1=O)CCC(C2)C(C)(C)C |
Product Overview
5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one (CAS 94278-41-8), with molecular formula C14H22O and molecular weight 206.17 g/mol. IUPAC: 5-tert-butyl-2-methyl-2,3,4,5,6,7-hexahydroinden-1-one.
Chemical Property Profile of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one
Property Insights of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one
The XLogP value of 3.7381 indicates that 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-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, 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-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 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one?
The CAS number of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one is 94278-41-8.
What is the molecular formula of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one?
The molecular formula of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one is C14H22O.
What is the molecular weight of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one?
The molecular weight of 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one is 206.17 g/mol.
Where can I buy 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one?
You can request a quote for 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-2,3,4,5,6,7-hexahydro-2-methyl-1H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.