Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine
TL;DR: Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine (CAS 69740-07-4) is a chemical compound with molecular formula C23H39N and molecular weight 329.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5,5-trimethylazepane
Also Known As: Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine, 1H-Azepine, hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-, N-(3'-p-tert-Butylphenyl)-2'-(methylpropyl-1')-3,5,5-trimethyl-hexahydro-1H-azepine [German], 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5,5-trimethylazepane, N-(3'-p-tert-Butylphenyl)-2'-(methylpropyl-1')-3,5,5-trimethyl-hexahydro-1H-azepine
| Molecular Formula | C23H39N |
|---|---|
| Molecular Weight | 329.31 g/mol |
| LogP | 5.9208 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.30826 |
| Heavy Atoms | 24 |
| Complexity | 505.83218 |
Chemical Identifiers
| CAS Number | 69740-07-4 |
|---|---|
| SMILES | CC1CC(CCN(C1)CC(C)CC2=CC=C(C=C2)C(C)(C)C)(C)C |
Product Overview
Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine (CAS 69740-07-4), with molecular formula C23H39N and molecular weight 329.31 g/mol. IUPAC: 1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5,5-trimethylazepane.
Chemical Property Profile of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine
Property Insights of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine
The XLogP value of 5.9208 indicates that Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine?
The CAS number of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine is 69740-07-4.
What is the molecular formula of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine?
The molecular formula of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine is C23H39N.
What is the molecular weight of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine?
The molecular weight of Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine is 329.31 g/mol.
Where can I buy Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine?
You can request a quote for Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3,5,5-trimethyl-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.