![(E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide structure](/static/products/3391/339105-39-4.webp)
(E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide
TL;DR: (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide (CAS 339105-39-4) is a chemical compound with molecular formula C24H22ClF4N3O4S and molecular weight 559.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethenesulfonamide
Also Known As: (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide, N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethenesulfonamide
| Molecular Formula | C24H22ClF4N3O4S |
|---|---|
| Molecular Weight | 559.10 g/mol |
| LogP | 5.4827 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 559.0956 |
| Heavy Atoms | 37 |
| Complexity | 1351.0903 |
Chemical Identifiers
| CAS Number | 339105-39-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CS(=O)(=O)NCCNC2=C(C=C(C=N2)C(F)(F)F)Cl)OCC3=CC=C(C=C3)F |
Product Overview
(E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide (CAS 339105-39-4), with molecular formula C24H22ClF4N3O4S and molecular weight 559.10 g/mol. IUPAC: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethenesulfonamide.
Chemical Property Profile of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide
Property Insights of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide
The XLogP value of 5.4827 indicates that (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide. Following Lipinski's Rule of Five, (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide has 2 hydrogen bond donor(s) and 6 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-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide?
The CAS number of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide is 339105-39-4.
What is the molecular formula of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide?
The molecular formula of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide is C24H22ClF4N3O4S.
What is the molecular weight of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide?
The molecular weight of (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide is 559.10 g/mol.
Where can I buy (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide?
You can request a quote for (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide 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-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-1-ethenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.