![ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate structure](/static/products/3391/339103-90-1.webp)
ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate
TL;DR: ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate (CAS 339103-90-1) is a chemical compound with molecular formula C18H20ClF3N4O4 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-3-oxobutanoyl]carbamate
Also Known As: ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate, ethyl N-[2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methylidene]-3-oxobutanoyl]carbamate
| Molecular Formula | C18H20ClF3N4O4 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 2.6214 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.11252 |
| Heavy Atoms | 30 |
| Complexity | 852.3235 |
Chemical Identifiers
| CAS Number | 339103-90-1 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CN1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)C |
Product Overview
ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate (CAS 339103-90-1), with molecular formula C18H20ClF3N4O4 and molecular weight 448.11 g/mol. IUPAC: ethyl N-[2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methylidene]-3-oxobutanoyl]carbamate.
Chemical Property Profile of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate
Property Insights of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate
The XLogP value of 2.6214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate has 1 hydrogen bond donor(s) and 7 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 ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate?
The CAS number of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate is 339103-90-1.
What is the molecular formula of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate?
The molecular formula of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate is C18H20ClF3N4O4.
What is the molecular weight of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate?
The molecular weight of ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate is 448.11 g/mol.
Where can I buy ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate?
You can request a quote for ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)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-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2-acetyl-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acryloyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.