Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-
TL;DR: Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- (CAS 101831-99-6) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.1634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(azocan-1-ylmethyl)-6-nitro-1H-indole
Also Known As: 6-Nitro-3-(heptamethyleneiminomethyl)indole, 3-(Hexahydro-1(2H)-azocinylmethyl)-6-nitroindole, INDOLE, 3-(HEXAHYDRO-1(2H)-AZOCINYLMETHYL)-6-NITRO-, 3-(azocan-1-ylmethyl)-6-nitro-1H-indole, 3-[(Azocan-1-yl)methyl]-6-nitro-1H-indole
Technical Specifications
| Molecular Formula | C16H21N3O2 |
| Molecular Weight | 287.1634 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.1634 Da |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
| SMILES | C1CCCN(CCC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | UWLRIMMNQVSKTB-UHFFFAOYSA-N |
Chemical Property Profile of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-
Property Insights of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-
The XLogP value of 3.5 indicates that Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-. Following Lipinski's Rule of Five, Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-?
The CAS number of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- is 101831-99-6.
What is the molecular formula of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-?
The molecular formula of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- is C16H21N3O2.
What is the molecular weight of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-?
The molecular weight of Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- is 287.1634 g/mol.
Where can I buy Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-?
You can request a quote for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro-?
Yes, CoreyChem provides custom synthesis services for Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.