3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide
TL;DR: 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide (CAS 294655-23-5) is a chemical compound with molecular formula C16H13Cl3N4O5 and molecular weight 446.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide
Also Known As: BAS 00136877, 3,5-dinitro-N-(2,2,2-trichloro-1-(p-tolylamino)ethyl)benzamide, 3,5-Dinitro-N-(2,2,2-trichloro-1-p-tolylamino-ethyl)-benzamide, 3,5-dinitro-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide, 3,5-DINITRO-N-(2,2,2-TRICHLORO-1-(4-TOLUIDINO)ETHYL)BENZAMIDE
| Molecular Formula | C16H13Cl3N4O5 |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 4.34962 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.99515 |
| Heavy Atoms | 28 |
| Complexity | 883.236 |
Chemical Identifiers
| CAS Number | 294655-23-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide (CAS 294655-23-5), with molecular formula C16H13Cl3N4O5 and molecular weight 446.00 g/mol. IUPAC: 3,5-dinitro-N-[2,2,2-trichloro-1-(4-methylanilino)ethyl]benzamide.
Chemical Property Profile of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide
Property Insights of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide
The XLogP value of 4.34962 indicates that 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide. Following Lipinski's Rule of Five, 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide 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 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide?
The CAS number of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide is 294655-23-5.
What is the molecular formula of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide?
The molecular formula of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide is C16H13Cl3N4O5.
What is the molecular weight of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide?
The molecular weight of 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide is 446.00 g/mol.
Where can I buy 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide?
You can request a quote for 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitro-N-(2,2,2-trichloro-1-(4-toluidino)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.