C22H14BrF3N2O3S
TL;DR: C22H14BrF3N2O3S (CAS 1024740-72-4) is a chemical compound with molecular formula C22H14BrF3N2O3S and molecular weight 521.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfonyl-3-[4-[3-(trifluoromethyl)phenoxy]anilino]prop-2-enenitrile
Also Known As: 2-((4-BROMOPHENYL)SULFONYL)-3-((4-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYL)AMINO)PROP-2-ENENITRILE, 2-(4-bromophenyl)sulfonyl-3-[4-[3-(trifluoromethyl)phenoxy]anilino]prop-2-enenitrile, 2-(4-bromophenyl)sulfonyl-3-[[4-[3-(trifluoromethyl)phenoxy]phenyl]amino]prop-2-enenitrile, C22H14BrF3N2O3S
| Molecular Formula | C22H14BrF3N2O3S |
|---|---|
| Molecular Weight | 521.99 g/mol |
| LogP | 6.51098 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.9861 |
| Heavy Atoms | 32 |
| Complexity | 1281.7366 |
Chemical Identifiers
| CAS Number | 1024740-72-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)NC=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Br)C(F)(F)F |
Product Overview
C22H14BrF3N2O3S (CAS 1024740-72-4), with molecular formula C22H14BrF3N2O3S and molecular weight 521.99 g/mol. IUPAC: 2-(4-bromophenyl)sulfonyl-3-[4-[3-(trifluoromethyl)phenoxy]anilino]prop-2-enenitrile.
Chemical Property Profile of C22H14BrF3N2O3S
Property Insights of C22H14BrF3N2O3S
The XLogP value of 6.51098 indicates that C22H14BrF3N2O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H14BrF3N2O3S. Following Lipinski's Rule of Five, C22H14BrF3N2O3S has 1 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 C22H14BrF3N2O3S?
The CAS number of C22H14BrF3N2O3S is 1024740-72-4.
What is the molecular formula of C22H14BrF3N2O3S?
The molecular formula of C22H14BrF3N2O3S is C22H14BrF3N2O3S.
What is the molecular weight of C22H14BrF3N2O3S?
The molecular weight of C22H14BrF3N2O3S is 521.99 g/mol.
Where can I buy C22H14BrF3N2O3S?
You can request a quote for C22H14BrF3N2O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H14BrF3N2O3S?
Yes, KEHONG BIO provides custom synthesis services for C22H14BrF3N2O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.