C16H9BrClF3N2O2S
TL;DR: C16H9BrClF3N2O2S (CAS 1025276-98-5) is a chemical compound with molecular formula C16H9BrClF3N2O2S and molecular weight 463.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
Also Known As: 3-((2-BROMO-5-(TRIFLUOROMETHYL)PHENYL)AMINO)-2-((4-CHLOROPHENYL)SULFONYL)PROP-2-ENENITRILE, (E)-3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile, 3-[[2-bromo-5-(trifluoromethyl)phenyl]amino]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile, 3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile, 3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C16H9BrClF3N2O2S |
|---|---|
| Molecular Weight | 463.92 g/mol |
| LogP | 5.37208 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.92087 |
| Heavy Atoms | 26 |
| Complexity | 997.63544 |
Chemical Identifiers
| CAS Number | 1025276-98-5 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)C(=CNC2=C(C=CC(=C2)C(F)(F)F)Br)C#N)Cl |
Product Overview
C16H9BrClF3N2O2S (CAS 1025276-98-5), with molecular formula C16H9BrClF3N2O2S and molecular weight 463.92 g/mol. IUPAC: 3-[2-bromo-5-(trifluoromethyl)anilino]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of C16H9BrClF3N2O2S
Property Insights of C16H9BrClF3N2O2S
The XLogP value of 5.37208 indicates that C16H9BrClF3N2O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H9BrClF3N2O2S. Following Lipinski's Rule of Five, C16H9BrClF3N2O2S has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C16H9BrClF3N2O2S?
The CAS number of C16H9BrClF3N2O2S is 1025276-98-5.
What is the molecular formula of C16H9BrClF3N2O2S?
The molecular formula of C16H9BrClF3N2O2S is C16H9BrClF3N2O2S.
What is the molecular weight of C16H9BrClF3N2O2S?
The molecular weight of C16H9BrClF3N2O2S is 463.92 g/mol.
Where can I buy C16H9BrClF3N2O2S?
You can request a quote for C16H9BrClF3N2O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H9BrClF3N2O2S?
Yes, KEHONG BIO provides custom synthesis services for C16H9BrClF3N2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.