3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
TL;DR: 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene (CAS 869682-25-7) is a chemical compound with molecular formula C12H20 and molecular weight 164.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
Also Known As: 1-Ethylidene-7a-methyloctahydro-1H-indene, 1H-Indene, 1-ethylideneoctahydro-7a-methyl-, 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
| Molecular Formula | C12H20 |
|---|---|
| Molecular Weight | 164.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.1565 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 869682-25-7 |
|---|---|
| SMILES | CC=C1CCC2C1(CCCC2)C |
| InChIKey | PLNRDADPGQMIIQ-UHFFFAOYSA-N |
Product Overview
3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene (CAS 869682-25-7), with molecular formula C12H20 and molecular weight 164.16 g/mol. IUPAC: 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene.
Chemical Property Profile of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
Property Insights of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene
The XLogP value of 4.3 indicates that 3-ethylidene-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-ethylidene-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-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene has 0 hydrogen bond donor(s) and 0 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-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
The CAS number of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is 869682-25-7.
What is the molecular formula of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
The molecular formula of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is C12H20.
What is the molecular weight of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
The molecular weight of 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene is 164.16 g/mol.
Where can I buy 3-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
You can request a quote for 3-ethylidene-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-ethylidene-3a-methyl-2,4,5,6,7,7a-hexahydro-1H-indene?
Yes, KEHONG BIO provides custom synthesis services for 3-ethylidene-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.