Benzenamine, 4-nitro-N-nitroso-
TL;DR: Benzenamine, 4-nitro-N-nitroso- (CAS 40078-29-3) is a chemical compound with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)nitrous amide
Also Known As: N-(4-nitrophenyl)nitrous amide, Benzenamine, 4-nitro-N-nitroso-, 4-Nitro-benzoldiazohydroxid, (E)-4-nitro-benzenediazo hydroxide, RefChem:322928
| Molecular Formula | C6H5N3O3 |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0331 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 40078-29-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NN=O)[N+](=O)[O-] |
| InChIKey | HQGVXHBMWFDENZ-UHFFFAOYSA-N |
Product Overview
Benzenamine, 4-nitro-N-nitroso- (CAS 40078-29-3), with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol. IUPAC: N-(4-nitrophenyl)nitrous amide.
Chemical Property Profile of Benzenamine, 4-nitro-N-nitroso-
Property Insights of Benzenamine, 4-nitro-N-nitroso-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenamine, 4-nitro-N-nitroso-. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenamine, 4-nitro-N-nitroso-. Following Lipinski's Rule of Five, Benzenamine, 4-nitro-N-nitroso- has 1 hydrogen bond donor(s) and 5 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 Benzenamine, 4-nitro-N-nitroso-?
The CAS number of Benzenamine, 4-nitro-N-nitroso- is 40078-29-3.
What is the molecular formula of Benzenamine, 4-nitro-N-nitroso-?
The molecular formula of Benzenamine, 4-nitro-N-nitroso- is C6H5N3O3.
What is the molecular weight of Benzenamine, 4-nitro-N-nitroso-?
The molecular weight of Benzenamine, 4-nitro-N-nitroso- is 167.03 g/mol.
Where can I buy Benzenamine, 4-nitro-N-nitroso-?
You can request a quote for Benzenamine, 4-nitro-N-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 4-nitro-N-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 4-nitro-N-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.