3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE
TL;DR: 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE (CAS 1024736-34-2) is a chemical compound with molecular formula C23H12F6N2O6S and molecular weight 558.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-nitro-2-[3-(trifluoromethyl)phenoxy]phenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile
Also Known As: 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE, 3-[5-nitro-2-[3-(trifluoromethyl)phenoxy]phenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonyl-prop-2-enenitrile, 3-[5-nitro-2-[3-(trifluoromethyl)phenoxy]phenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile
| Molecular Formula | C23H12F6N2O6S |
|---|---|
| Molecular Weight | 558.03 g/mol |
| LogP | 6.64288 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.03204 |
| Heavy Atoms | 38 |
| Complexity | 1542.2885 |
Chemical Identifiers
| CAS Number | 1024736-34-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F |
Product Overview
3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE (CAS 1024736-34-2), with molecular formula C23H12F6N2O6S and molecular weight 558.03 g/mol. IUPAC: 3-[5-nitro-2-[3-(trifluoromethyl)phenoxy]phenyl]-2-[4-(trifluoromethoxy)phenyl]sulfonylprop-2-enenitrile.
Chemical Property Profile of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE
Property Insights of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE
The XLogP value of 6.64288 indicates that 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE. Following Lipinski's Rule of Five, 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE?
The CAS number of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE is 1024736-34-2.
What is the molecular formula of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE?
The molecular formula of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE is C23H12F6N2O6S.
What is the molecular weight of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE?
The molecular weight of 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE is 558.03 g/mol.
Where can I buy 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE?
You can request a quote for 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-NITRO-2-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.