N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide
TL;DR: N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide (CAS 852137-48-5) is a chemical compound with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,2-dimethylindol-5-yl)methyl]-2-nitrobenzamide
Also Known As: N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide, N-[(1,2-dimethylindol-5-yl)methyl]-2-nitrobenzamide, N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-2-nitrobenzamide, F0651-0188
| Molecular Formula | C18H17N3O3 |
|---|---|
| Molecular Weight | 323.13 g/mol |
| LogP | 3.32492 |
| Topological Polar Surface Area | 77.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.12698 |
| Heavy Atoms | 24 |
| Complexity | 943.83203 |
Chemical Identifiers
| CAS Number | 852137-48-5 |
|---|---|
| SMILES | CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide (CAS 852137-48-5), with molecular formula C18H17N3O3 and molecular weight 323.13 g/mol. IUPAC: N-[(1,2-dimethylindol-5-yl)methyl]-2-nitrobenzamide.
Chemical Property Profile of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide
Property Insights of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide
The XLogP value of 3.32492 indicates that N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.17 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide 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 N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide?
The CAS number of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide is 852137-48-5.
What is the molecular formula of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide?
The molecular formula of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide is C18H17N3O3.
What is the molecular weight of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide?
The molecular weight of N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide is 323.13 g/mol.
Where can I buy N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide?
You can request a quote for N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.