5',6'-Dinitro-O-acetotoluidide
TL;DR: 5',6'-Dinitro-O-acetotoluidide (CAS 3484-28-4) is a chemical compound with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-2,3-dinitrophenyl)acetamide
Also Known As: 5',6'-DINITRO-O-ACETOTOLUIDIDE, N-(6-methyl-2,3-dinitrophenyl)acetamide, N-(6-methyl-2,3-dinitro-phenyl)acetamide, 667-728-4, RefChem:527436
| Molecular Formula | C9H9N3O5 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 1.76982 |
| Topological Polar Surface Area | 115.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.05421 |
| Heavy Atoms | 17 |
| Complexity | 511.59793 |
Chemical Identifiers
| CAS Number | 3484-28-4 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C |
Product Overview
5',6'-Dinitro-O-acetotoluidide (CAS 3484-28-4), with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol. IUPAC: N-(6-methyl-2,3-dinitrophenyl)acetamide.
Chemical Property Profile of 5',6'-Dinitro-O-acetotoluidide
Property Insights of 5',6'-Dinitro-O-acetotoluidide
The XLogP value of 1.76982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5',6'-Dinitro-O-acetotoluidide. The TPSA of 115.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 5',6'-Dinitro-O-acetotoluidide. Following Lipinski's Rule of Five, 5',6'-Dinitro-O-acetotoluidide 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 5',6'-Dinitro-O-acetotoluidide?
The CAS number of 5',6'-Dinitro-O-acetotoluidide is 3484-28-4.
What is the molecular formula of 5',6'-Dinitro-O-acetotoluidide?
The molecular formula of 5',6'-Dinitro-O-acetotoluidide is C9H9N3O5.
What is the molecular weight of 5',6'-Dinitro-O-acetotoluidide?
The molecular weight of 5',6'-Dinitro-O-acetotoluidide is 239.05 g/mol.
Where can I buy 5',6'-Dinitro-O-acetotoluidide?
You can request a quote for 5',6'-Dinitro-O-acetotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5',6'-Dinitro-O-acetotoluidide?
Yes, KEHONG BIO provides custom synthesis services for 5',6'-Dinitro-O-acetotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.