Indole, 3-((diethylamino)methyl)-5-nitro-
TL;DR: Indole, 3-((diethylamino)methyl)-5-nitro- (CAS 1147-97-3) is a chemical compound with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine
Also Known As: 5-Nitrogramine, dimethylethylmalonate, 3-((Diethylamino)methyl)-5-nitroindole, INDOLE, 3-((DIETHYLAMINO)METHYL)-5-NITRO-, N,N-Diethyl-5-nitro-1H-indole-3-methanamine
| Molecular Formula | C13H17N3O2 |
|---|---|
| Molecular Weight | 247.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.13208 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 1147-97-3 |
|---|---|
| SMILES | CCN(CC)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | GXZBKAKDGAAGIW-UHFFFAOYSA-N |
Product Overview
Indole, 3-((diethylamino)methyl)-5-nitro- (CAS 1147-97-3), with molecular formula C13H17N3O2 and molecular weight 247.13 g/mol. IUPAC: N-ethyl-N-[(5-nitro-1H-indol-3-yl)methyl]ethanamine.
Chemical Property Profile of Indole, 3-((diethylamino)methyl)-5-nitro-
Property Insights of Indole, 3-((diethylamino)methyl)-5-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-((diethylamino)methyl)-5-nitro-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-((diethylamino)methyl)-5-nitro-. Following Lipinski's Rule of Five, Indole, 3-((diethylamino)methyl)-5-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
Frequently Asked Questions
What is the CAS number of Indole, 3-((diethylamino)methyl)-5-nitro-?
The CAS number of Indole, 3-((diethylamino)methyl)-5-nitro- is 1147-97-3.
What is the molecular formula of Indole, 3-((diethylamino)methyl)-5-nitro-?
The molecular formula of Indole, 3-((diethylamino)methyl)-5-nitro- is C13H17N3O2.
What is the molecular weight of Indole, 3-((diethylamino)methyl)-5-nitro-?
The molecular weight of Indole, 3-((diethylamino)methyl)-5-nitro- is 247.13 g/mol.
Where can I buy Indole, 3-((diethylamino)methyl)-5-nitro-?
You can request a quote for Indole, 3-((diethylamino)methyl)-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole, 3-((diethylamino)methyl)-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Indole, 3-((diethylamino)methyl)-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.