N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
TL;DR: N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine (CAS 332405-60-4) is a chemical compound with molecular formula C12H18N4O6 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine
Also Known As: J2.998.387I, N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine, 1-N,3-N-bis(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine, N1,N3-bis(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine, N,N -Bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
| Molecular Formula | C12H18N4O6 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 1.6196 |
| Topological Polar Surface Area | 128.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 314.12262 |
| Heavy Atoms | 22 |
| Complexity | 493.34293 |
Chemical Identifiers
| CAS Number | 332405-60-4 |
|---|---|
| SMILES | COCCNC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCOC |
Product Overview
N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine (CAS 332405-60-4), with molecular formula C12H18N4O6 and molecular weight 314.12 g/mol. IUPAC: 1-N,3-N-bis(2-methoxyethyl)-4,6-dinitrobenzene-1,3-diamine.
Chemical Property Profile of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
Property Insights of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine
The XLogP value of 1.6196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine. The TPSA of 128.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine. Following Lipinski's Rule of Five, N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine has 2 hydrogen bond donor(s) and 8 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~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
The CAS number of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine is 332405-60-4.
What is the molecular formula of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
The molecular formula of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine is C12H18N4O6.
What is the molecular weight of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
The molecular weight of N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine is 314.12 g/mol.
Where can I buy N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
You can request a quote for N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine?
Yes, KEHONG BIO provides custom synthesis services for N~1~,N~3~-bis(2-methoxyethyl)-4,6-dinitro-1,3-benzenediamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.