3-(azepan-1-ylmethyl)-6-nitro-1H-indole
TL;DR: 3-(azepan-1-ylmethyl)-6-nitro-1H-indole (CAS 340968-00-5) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(azepan-1-ylmethyl)-6-nitro-1H-indole
Also Known As: 3-(azepan-1-ylmethyl)-6-nitro-1H-indole, 3-[(azepan-1-yl)methyl]-6-nitro-1H-indole
| Molecular Formula | C15H19N3O2 |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.14774 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 340968-00-5 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CNC3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | JAYXGHMHYKCWKM-UHFFFAOYSA-N |
Product Overview
3-(azepan-1-ylmethyl)-6-nitro-1H-indole (CAS 340968-00-5), with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol. IUPAC: 3-(azepan-1-ylmethyl)-6-nitro-1H-indole.
Chemical Property Profile of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole
Property Insights of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(azepan-1-ylmethyl)-6-nitro-1H-indole. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(azepan-1-ylmethyl)-6-nitro-1H-indole. Following Lipinski's Rule of Five, 3-(azepan-1-ylmethyl)-6-nitro-1H-indole 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
Frequently Asked Questions
What is the CAS number of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole?
The CAS number of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole is 340968-00-5.
What is the molecular formula of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole?
The molecular formula of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole is C15H19N3O2.
What is the molecular weight of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole?
The molecular weight of 3-(azepan-1-ylmethyl)-6-nitro-1H-indole is 273.15 g/mol.
Where can I buy 3-(azepan-1-ylmethyl)-6-nitro-1H-indole?
You can request a quote for 3-(azepan-1-ylmethyl)-6-nitro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(azepan-1-ylmethyl)-6-nitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(azepan-1-ylmethyl)-6-nitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.