3-(2-nitrobutyl)-1H-indole
TL;DR: 3-(2-nitrobutyl)-1H-indole (CAS 835-41-6) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitrobutyl)-1H-indole
Also Known As: 3-(2-nitrobutyl)-1H-indole, 3-(2'-nitrobutyl)indole, 3-(2-nitro-butyl)-indole, NCIOpen2_005393, J2.484.634B
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 835-41-6 |
|---|---|
| SMILES | CCC(CC1=CNC2=CC=CC=C21)[N+](=O)[O-] |
| InChIKey | CDNXXVYBJAMWAK-UHFFFAOYSA-N |
Product Overview
3-(2-nitrobutyl)-1H-indole (CAS 835-41-6), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-(2-nitrobutyl)-1H-indole.
Chemical Property Profile of 3-(2-nitrobutyl)-1H-indole
Property Insights of 3-(2-nitrobutyl)-1H-indole
The XLogP value of 3.2 indicates that 3-(2-nitrobutyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-nitrobutyl)-1H-indole. Following Lipinski's Rule of Five, 3-(2-nitrobutyl)-1H-indole has 1 hydrogen bond donor(s) and 2 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-(2-nitrobutyl)-1H-indole?
The CAS number of 3-(2-nitrobutyl)-1H-indole is 835-41-6.
What is the molecular formula of 3-(2-nitrobutyl)-1H-indole?
The molecular formula of 3-(2-nitrobutyl)-1H-indole is C12H14N2O2.
What is the molecular weight of 3-(2-nitrobutyl)-1H-indole?
The molecular weight of 3-(2-nitrobutyl)-1H-indole is 218.11 g/mol.
Where can I buy 3-(2-nitrobutyl)-1H-indole?
You can request a quote for 3-(2-nitrobutyl)-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-(2-nitrobutyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-nitrobutyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.