2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene
TL;DR: 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene (CAS 74383-66-7) is a chemical compound with molecular formula C15H24 and molecular weight 204.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,9,9-tetramethyl-3,4,4a,5,8,9a-hexahydrobenzo[7]annulene
Also Known As: cis-(-)-2,4a,5,6,9a-Hexahydro-3,5,5,9-tetramethyl(1H)benzocycloheptene, 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene, 2,5,9,9-tetramethyl-3,4,4a,5,8,9a-hexahydrobenzo[7]annulene, 3,5,5,9-tetramethyl-2,4a,5,6,9,9a-hexahydro-1h-benzo[7]annulene, 3,5,5,9-Tetramethyl-2,4a,5,6,9,9a-hexahydro-1H-benzo[a]cycloheptene #
| Molecular Formula | C15H24 |
|---|---|
| Molecular Weight | 204.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.1878 |
| Heavy Atoms | 15 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 74383-66-7 |
|---|---|
| SMILES | CC1C=CCC(C2C1CCC(=C2)C)(C)C |
| InChIKey | ARHRNUWNRNFXBZ-UHFFFAOYSA-N |
Product Overview
2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene (CAS 74383-66-7), with molecular formula C15H24 and molecular weight 204.19 g/mol. IUPAC: 2,5,9,9-tetramethyl-3,4,4a,5,8,9a-hexahydrobenzo[7]annulene.
Chemical Property Profile of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene
Property Insights of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene
The XLogP value of 4.6 indicates that 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene 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 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene?
The CAS number of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene is 74383-66-7.
What is the molecular formula of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene?
The molecular formula of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene is C15H24.
What is the molecular weight of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene?
The molecular weight of 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene is 204.19 g/mol.
Where can I buy 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene?
You can request a quote for 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene?
Yes, KEHONG BIO provides custom synthesis services for 2,4a,5,6,9,9a-Hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.