![ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate structure](/static/products/3383/338399-98-7.webp)
ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate
TL;DR: ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate (CAS 338399-98-7) is a chemical compound with molecular formula C21H18Cl2F3N7O4 and molecular weight 559.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[3-[4-[5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoyl]carbamate
Also Known As: ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate, ethyl N-[3-[4-[5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoyl]carbamate, ETHYL N-{2-[(4-{5-CHLORO-1-[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]-6-OXOPYRIDAZIN-4-YL}PIPERAZIN-1-YL)METHYLIDENE]-2-CYANOACETYL}CARBAMATE
| Molecular Formula | C21H18Cl2F3N7O4 |
|---|---|
| Molecular Weight | 559.07 g/mol |
| LogP | 2.75528 |
| Topological Polar Surface Area | 133.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.07495 |
| Heavy Atoms | 37 |
| Complexity | 1332.8889 |
Chemical Identifiers
| CAS Number | 338399-98-7 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CN1CCN(CC1)C2=C(C(=O)N(N=C2)C3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)C#N |
Product Overview
ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate (CAS 338399-98-7), with molecular formula C21H18Cl2F3N7O4 and molecular weight 559.07 g/mol. IUPAC: ethyl N-[3-[4-[5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxopyridazin-4-yl]piperazin-1-yl]-2-cyanoprop-2-enoyl]carbamate.
Chemical Property Profile of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate
Property Insights of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate
The XLogP value of 2.75528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate. The TPSA of 133.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate. Following Lipinski's Rule of Five, ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate?
The CAS number of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate is 338399-98-7.
What is the molecular formula of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate?
The molecular formula of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate is C21H18Cl2F3N7O4.
What is the molecular weight of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate?
The molecular weight of ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate is 559.07 g/mol.
Where can I buy ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate?
You can request a quote for ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[3-(4-{5-chloro-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-oxo-1,6-dihydro-4-pyridazinyl}piperazino)-2-cyanoacryloyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.