2,2-Dichloro-4'-nitro-O-acetotoluidide
TL;DR: 2,2-Dichloro-4'-nitro-O-acetotoluidide (CAS 42276-79-9) is a chemical compound with molecular formula C9H8Cl2N2O3 and molecular weight 261.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-N-(2-methyl-4-nitrophenyl)acetamide
Also Known As: 2,2-dichloro-N-(2-methyl-4-nitrophenyl)acetamide, 2,2-DICHLORO-4'-NITRO-O-ACETOTOLUIDIDE, 2,2-dichloro-N-(2-methyl-4-nitro-phenyl)acetamide
| Molecular Formula | C9H8Cl2N2O3 |
|---|---|
| Molecular Weight | 261.99 g/mol |
| LogP | 2.64542 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9912 |
| Heavy Atoms | 16 |
| Complexity | 434.76233 |
Chemical Identifiers
| CAS Number | 42276-79-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(Cl)Cl |
Product Overview
2,2-Dichloro-4'-nitro-O-acetotoluidide (CAS 42276-79-9), with molecular formula C9H8Cl2N2O3 and molecular weight 261.99 g/mol. IUPAC: 2,2-dichloro-N-(2-methyl-4-nitrophenyl)acetamide.
Chemical Property Profile of 2,2-Dichloro-4'-nitro-O-acetotoluidide
Property Insights of 2,2-Dichloro-4'-nitro-O-acetotoluidide
The XLogP value of 2.64542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-4'-nitro-O-acetotoluidide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dichloro-4'-nitro-O-acetotoluidide. Following Lipinski's Rule of Five, 2,2-Dichloro-4'-nitro-O-acetotoluidide has 1 hydrogen bond donor(s) and 3 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 2,2-Dichloro-4'-nitro-O-acetotoluidide?
The CAS number of 2,2-Dichloro-4'-nitro-O-acetotoluidide is 42276-79-9.
What is the molecular formula of 2,2-Dichloro-4'-nitro-O-acetotoluidide?
The molecular formula of 2,2-Dichloro-4'-nitro-O-acetotoluidide is C9H8Cl2N2O3.
What is the molecular weight of 2,2-Dichloro-4'-nitro-O-acetotoluidide?
The molecular weight of 2,2-Dichloro-4'-nitro-O-acetotoluidide is 261.99 g/mol.
Where can I buy 2,2-Dichloro-4'-nitro-O-acetotoluidide?
You can request a quote for 2,2-Dichloro-4'-nitro-O-acetotoluidide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloro-4'-nitro-O-acetotoluidide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloro-4'-nitro-O-acetotoluidide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.