![(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide structure](/static/products/5610/561004-00-0.webp)
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
TL;DR: (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide (CAS 561004-00-0) is a chemical compound with molecular formula C27H21ClF3N3O4 and molecular weight 543.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
Also Known As: (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-(3-methoxy-4-{[(4-methylphenyl)carbamoyl]methoxy}phenyl)prop-2-enamide
| Molecular Formula | C27H21ClF3N3O4 |
|---|---|
| Molecular Weight | 543.12 g/mol |
| LogP | 6.239 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.11725 |
| Heavy Atoms | 38 |
| Complexity | 1414.5458 |
Chemical Identifiers
| CAS Number | 561004-00-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)OC |
Product Overview
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide (CAS 561004-00-0), with molecular formula C27H21ClF3N3O4 and molecular weight 543.12 g/mol. IUPAC: (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide.
Chemical Property Profile of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
Property Insights of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide
The XLogP value of 6.239 indicates that (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide. Following Lipinski's Rule of Five, (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide?
The CAS number of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide is 561004-00-0.
What is the molecular formula of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide?
The molecular formula of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide is C27H21ClF3N3O4.
What is the molecular weight of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide?
The molecular weight of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide is 543.12 g/mol.
Where can I buy (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide?
You can request a quote for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.