N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide
TL;DR: N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide (CAS 339339-21-8) is a chemical compound with molecular formula C11H12Cl3N3O3 and molecular weight 338.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trichloro-1-(4-methyl-2-nitroanilino)ethyl]acetamide
Also Known As: N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide, N-[2,2,2-trichloro-1-(4-methyl-2-nitroanilino)ethyl]acetamide, A1402/0062632, N-{2,2,2-trichloro-1-[(4-methyl-2-nitrophenyl)amino]ethyl}acetamide
| Molecular Formula | C11H12Cl3N3O3 |
|---|---|
| Molecular Weight | 338.99 g/mol |
| LogP | 3.14752 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.99442 |
| Heavy Atoms | 20 |
| Complexity | 531.38 |
Chemical Identifiers
| CAS Number | 339339-21-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C)[N+](=O)[O-] |
Product Overview
N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide (CAS 339339-21-8), with molecular formula C11H12Cl3N3O3 and molecular weight 338.99 g/mol. IUPAC: N-[2,2,2-trichloro-1-(4-methyl-2-nitroanilino)ethyl]acetamide.
Chemical Property Profile of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide
Property Insights of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide
The XLogP value of 3.14752 indicates that N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide. Following Lipinski's Rule of Five, N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide has 2 hydrogen bond donor(s) and 4 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-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide?
The CAS number of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide is 339339-21-8.
What is the molecular formula of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide?
The molecular formula of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide is C11H12Cl3N3O3.
What is the molecular weight of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide?
The molecular weight of N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide is 338.99 g/mol.
Where can I buy N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide?
You can request a quote for N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2,2-trichloro-1-{2-nitro-4-methylanilino}ethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.