![N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide structure](/static/products/3028/302820-20-8.webp)
N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
TL;DR: N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide (CAS 302820-20-8) is a chemical compound with molecular formula C13H15Cl3N4O5 and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
Also Known As: BAS 00136998, N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide, N-(1-(tert-butylamino)-2,2,2-trichloroethyl)-3,5-dinitrobenzamide, N-(1-tert-Butylamino-2,2,2-trichloro-ethyl)-3,5-dinitro-benzamide
| Molecular Formula | C13H15Cl3N4O5 |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 3.3172 |
| Topological Polar Surface Area | 127.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0108 |
| Heavy Atoms | 25 |
| Complexity | 667.6354 |
Chemical Identifiers
| CAS Number | 302820-20-8 |
|---|---|
| SMILES | CC(C)(C)NC(C(Cl)(Cl)Cl)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide (CAS 302820-20-8), with molecular formula C13H15Cl3N4O5 and molecular weight 412.01 g/mol. IUPAC: N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
Property Insights of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide
The XLogP value of 3.3172 indicates that N-[1-(tert-butylamino)-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-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-[1-(tert-butylamino)-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-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
The CAS number of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide is 302820-20-8.
What is the molecular formula of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
The molecular formula of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide is C13H15Cl3N4O5.
What is the molecular weight of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
The molecular weight of N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide is 412.01 g/mol.
Where can I buy N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
You can request a quote for N-[1-(tert-butylamino)-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-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.