![N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide structure](/static/products/3028/302820-18-4.webp)
N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
TL;DR: N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide (CAS 302820-18-4) 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.
N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
Also Known As: BAS 00136995, N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide, N-(1-(BENZYLAMINO)-2,2,2-TRICHLOROETHYL)-3,5-DINITROBENZAMIDE, N-(1-Benzylamino-2,2,2-trichloro-ethyl)-3,5-dinitro-benzamide
| Molecular Formula | C16H13Cl3N4O5 |
|---|---|
| Molecular Weight | 446.00 g/mol |
| LogP | 3.7189 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.99515 |
| Heavy Atoms | 28 |
| Complexity | 857.3436 |
Chemical Identifiers
| CAS Number | 302820-18-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide (CAS 302820-18-4), with molecular formula C16H13Cl3N4O5 and molecular weight 446.00 g/mol. IUPAC: N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
Property Insights of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
The XLogP value of 3.7189 indicates that N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide 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 N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide 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 N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
The CAS number of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide is 302820-18-4.
What is the molecular formula of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
The molecular formula of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide is C16H13Cl3N4O5.
What is the molecular weight of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
The molecular weight of N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide is 446.00 g/mol.
Where can I buy N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
You can request a quote for N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(benzylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.