Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
TL;DR: Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- (CAS 4509-85-7) is a chemical compound with molecular formula C22H26N2 and molecular weight 318.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole
Also Known As: 2-Ethylhexyl phosphorodichloridate, INDOLE,3-(2- -2-PHENYL-, 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole, 5-22-11-00109 (Beilstein Handbook Reference), 3-(2-(Hexahydro-1H-azepin-1-yl)ethyl)-2-phenylindole
| Molecular Formula | C22H26N2 |
|---|---|
| Molecular Weight | 318.21 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.2096 |
| Heavy Atoms | 24 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 4509-85-7 |
|---|---|
| SMILES | C1CCCN(CC1)CCC2=C(NC3=CC=CC=C32)C4=CC=CC=C4 |
| InChIKey | SXZFPSNZDICOEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- (CAS 4509-85-7), with molecular formula C22H26N2 and molecular weight 318.21 g/mol. IUPAC: 3-[2-(azepan-1-yl)ethyl]-2-phenyl-1H-indole.
Chemical Property Profile of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
Property Insights of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-
The XLogP value of 5.2 indicates that Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.0 Ų, Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- has 1 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 Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-?
The CAS number of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- is 4509-85-7.
What is the molecular formula of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-?
The molecular formula of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- is C22H26N2.
What is the molecular weight of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-?
The molecular weight of Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- is 318.21 g/mol.
Where can I buy Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-?
You can request a quote for Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(2-(hexahydro-1H-azepin-1-yl)ethyl)-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.