![2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline structure](/static/products/295/29549-96-0.png)
2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline
TL;DR: 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline (CAS 29549-96-0) is a chemical compound with molecular formula C20H18N4O4 and molecular weight 378.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-[[3-[(2-nitroanilino)methyl]phenyl]methyl]aniline
Also Known As: N,N'-bis(2-nitrophenyl) m-xylylenediamine, 1,3-bis((2-nitrophenyl)aminomethyl)benzene, 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline, 2-nitro-N-[[3-[(2-nitroanilino)methyl]phenyl]methyl]aniline, 2-nitro-N-[(3-{[(2-nitrophenyl)amino]methyl}phenyl)methyl]aniline
| Molecular Formula | C20H18N4O4 |
|---|---|
| Molecular Weight | 378.13 g/mol |
| LogP | 4.7272 |
| Topological Polar Surface Area | 110.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.1328 |
| Heavy Atoms | 28 |
| Complexity | 930.0057 |
Chemical Identifiers
| CAS Number | 29549-96-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NCC2=CC(=CC=C2)CNC3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline (CAS 29549-96-0), with molecular formula C20H18N4O4 and molecular weight 378.13 g/mol. IUPAC: 2-nitro-N-[[3-[(2-nitroanilino)methyl]phenyl]methyl]aniline.
Chemical Property Profile of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline
Property Insights of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline
The XLogP value of 4.7272 indicates that 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline. Following Lipinski's Rule of Five, 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline has 2 hydrogen bond donor(s) and 6 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 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline?
The CAS number of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline is 29549-96-0.
What is the molecular formula of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline?
The molecular formula of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline is C20H18N4O4.
What is the molecular weight of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline?
The molecular weight of 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline is 378.13 g/mol.
Where can I buy 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline?
You can request a quote for 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-{3-[(2-nitroanilino)methyl]benzyl}aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.