3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
TL;DR: 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene (CAS 56053-05-5) is a chemical compound with molecular formula C17H22 and molecular weight 226.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
Also Known As: Octahydro-7a-methyl-1-phenylmethylene-1H-indene
| Molecular Formula | C17H22 |
|---|---|
| Molecular Weight | 226.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.17215 |
| Heavy Atoms | 17 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 56053-05-5 |
|---|---|
| SMILES | CC12CCCCC1CCC2=CC3=CC=CC=C3 |
| InChIKey | QHFAKASWUMZBIM-UHFFFAOYSA-N |
Product Overview
3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene (CAS 56053-05-5), with molecular formula C17H22 and molecular weight 226.17 g/mol. IUPAC: 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene.
Chemical Property Profile of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
Property Insights of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
The XLogP value of 5.6 indicates that 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
The CAS number of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is 56053-05-5.
What is the molecular formula of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
The molecular formula of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is C17H22.
What is the molecular weight of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
The molecular weight of 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is 226.17 g/mol.
Where can I buy 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
You can request a quote for 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for 3-benzylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.