Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-
TL;DR: Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- (CAS 101831-96-3) is a chemical compound with molecular formula C16H22N2 and molecular weight 242.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azocan-1-ylmethyl)-1H-indole
Also Known As: 3-(azocan-1-ylmethyl)-1H-indole, 3-(Heptamethyleneiminomethyl)indole, 3-Azocan-1-ylmethyl-1H-indole, 3-(1-azocanylmethyl)-1H-indole, INDOLE, 3-(HEXAHYDRO-1(2H)-AZOCINYLMETHYL)-
| Molecular Formula | C16H22N2 |
|---|---|
| Molecular Weight | 242.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.1783 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 101831-96-3 |
|---|---|
| SMILES | C1CCCN(CCC1)CC2=CNC3=CC=CC=C32 |
| InChIKey | KCXDIIFZTRAZDV-UHFFFAOYSA-N |
Product Overview
Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- (CAS 101831-96-3), with molecular formula C16H22N2 and molecular weight 242.18 g/mol. IUPAC: 3-(azocan-1-ylmethyl)-1H-indole.
Chemical Property Profile of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-
Property Insights of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-
The XLogP value of 3.5 indicates that Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- 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-(hexahydro-1(2H)-azocinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- has 1 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 Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-?
The CAS number of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- is 101831-96-3.
What is the molecular formula of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-?
The molecular formula of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- is C16H22N2.
What is the molecular weight of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-?
The molecular weight of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- is 242.18 g/mol.
Where can I buy Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-?
You can request a quote for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.