N-(3-nitrobenzyl)-5-indanamine
TL;DR: N-(3-nitrobenzyl)-5-indanamine (CAS 415972-55-3) is a chemical compound with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
Also Known As: N-(3-nitrobenzyl)-5-indanamine, indan-5-yl[(3-nitrophenyl)methyl]amine, BIM-0020218.P001, N-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-inden-5-amine, N-(3-nitrobenzyl)-2,3-dihydro-1H-inden-5-amine
| Molecular Formula | C16H16N2O2 |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.1212 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 415972-55-3 |
|---|---|
| SMILES | C1CC2=C(C1)C=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | WRCBXIRPZUQVIG-UHFFFAOYSA-N |
Product Overview
N-(3-nitrobenzyl)-5-indanamine (CAS 415972-55-3), with molecular formula C16H16N2O2 and molecular weight 268.12 g/mol. IUPAC: N-[(3-nitrophenyl)methyl]-2,3-dihydro-1H-inden-5-amine.
Chemical Property Profile of N-(3-nitrobenzyl)-5-indanamine
Property Insights of N-(3-nitrobenzyl)-5-indanamine
The XLogP value of 4.1 indicates that N-(3-nitrobenzyl)-5-indanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-(3-nitrobenzyl)-5-indanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-nitrobenzyl)-5-indanamine 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-(3-nitrobenzyl)-5-indanamine?
The CAS number of N-(3-nitrobenzyl)-5-indanamine is 415972-55-3.
What is the molecular formula of N-(3-nitrobenzyl)-5-indanamine?
The molecular formula of N-(3-nitrobenzyl)-5-indanamine is C16H16N2O2.
What is the molecular weight of N-(3-nitrobenzyl)-5-indanamine?
The molecular weight of N-(3-nitrobenzyl)-5-indanamine is 268.12 g/mol.
Where can I buy N-(3-nitrobenzyl)-5-indanamine?
You can request a quote for N-(3-nitrobenzyl)-5-indanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-nitrobenzyl)-5-indanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-nitrobenzyl)-5-indanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.