1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane
TL;DR: 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane (CAS 23853-67-0) is a chemical compound with molecular formula C19H29N and molecular weight 271.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)azepane
Also Known As: 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane, 1-(4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)azepane, 1H-Azepine, hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethyl-2-naphthyl)-, 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane #, Hexahydro-1-(1,2,3,4-tetrahydro-4,5,8-trimethylnaphthalen-2-yl)-1H-azepine
| Molecular Formula | C19H29N |
|---|---|
| Molecular Weight | 271.23 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.23 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 23853-67-0 |
|---|---|
| SMILES | CC1CC(CC2=C(C=CC(=C12)C)C)N3CCCCCC3 |
| InChIKey | KTKDUHJCKPMPTP-UHFFFAOYSA-N |
Product Overview
1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane (CAS 23853-67-0), with molecular formula C19H29N and molecular weight 271.23 g/mol. IUPAC: 1-(4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)azepane.
Chemical Property Profile of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane
Property Insights of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane
The XLogP value of 4.9 indicates that 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane 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 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane?
The CAS number of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane is 23853-67-0.
What is the molecular formula of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane?
The molecular formula of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane is C19H29N.
What is the molecular weight of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane?
The molecular weight of 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane is 271.23 g/mol.
Where can I buy 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane?
You can request a quote for 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5,8-Trimethyl-1,2,3,4-tetrahydro-2-naphthalenyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.