3,3'-dinitro-N,N'-diacetylbenzidine
TL;DR: 3,3'-dinitro-N,N'-diacetylbenzidine (CAS 6378-90-1) is a chemical compound with molecular formula C16H14N4O6 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-acetamido-3-nitrophenyl)-2-nitrophenyl]acetamide
Also Known As: DIACETYL-3,3'-DINITROBENZIDINE, 3,3'-dinitro-N,N'-diacetylbenzidine, 2,2'-Dinitro-4,4'-biacetanilide, Diacetyl-3,3'-Dinitrobenzidine, N-[4-(4-acetamido-3-nitrophenyl)-2-nitrophenyl]acetamide
| Molecular Formula | C16H14N4O6 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.0868 |
| Topological Polar Surface Area | 144.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09134 |
| Heavy Atoms | 26 |
| Complexity | 849.4512 |
Chemical Identifiers
| CAS Number | 6378-90-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,3'-dinitro-N,N'-diacetylbenzidine (CAS 6378-90-1), with molecular formula C16H14N4O6 and molecular weight 358.09 g/mol. IUPAC: N-[4-(4-acetamido-3-nitrophenyl)-2-nitrophenyl]acetamide.
Chemical Property Profile of 3,3'-dinitro-N,N'-diacetylbenzidine
Property Insights of 3,3'-dinitro-N,N'-diacetylbenzidine
The XLogP value of 3.0868 indicates that 3,3'-dinitro-N,N'-diacetylbenzidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.48 Ų indicates high polarity, suggesting 3,3'-dinitro-N,N'-diacetylbenzidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-dinitro-N,N'-diacetylbenzidine 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 3,3'-dinitro-N,N'-diacetylbenzidine?
The CAS number of 3,3'-dinitro-N,N'-diacetylbenzidine is 6378-90-1.
What is the molecular formula of 3,3'-dinitro-N,N'-diacetylbenzidine?
The molecular formula of 3,3'-dinitro-N,N'-diacetylbenzidine is C16H14N4O6.
What is the molecular weight of 3,3'-dinitro-N,N'-diacetylbenzidine?
The molecular weight of 3,3'-dinitro-N,N'-diacetylbenzidine is 358.09 g/mol.
Where can I buy 3,3'-dinitro-N,N'-diacetylbenzidine?
You can request a quote for 3,3'-dinitro-N,N'-diacetylbenzidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-dinitro-N,N'-diacetylbenzidine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-dinitro-N,N'-diacetylbenzidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.