C16H7Cl3F3N3O
TL;DR: C16H7Cl3F3N3O (CAS 1025666-48-1) is a chemical compound with molecular formula C16H7Cl3F3N3O and molecular weight 418.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-(3,4-dichlorobenzoyl)prop-2-enenitrile
Also Known As: 2-((3,4-DICHLOROPHENYL)CARBONYL)-3-((3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYL))AMINO)PROP-2-ENENITRILE, 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-(3,4-dichlorobenzoyl)prop-2-enenitrile, 3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-2-(3,4-dichlorobenzoyl)prop-2-enenitrile, C16H7Cl3F3N3O
| Molecular Formula | C16H7Cl3F3N3O |
|---|---|
| Molecular Weight | 418.96 g/mol |
| LogP | 5.76288 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.9607 |
| Heavy Atoms | 26 |
| Complexity | 936.5579 |
Chemical Identifiers
| CAS Number | 1025666-48-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)C(=CNC2=C(C=C(C=N2)C(F)(F)F)Cl)C#N)Cl)Cl |
Product Overview
C16H7Cl3F3N3O (CAS 1025666-48-1), with molecular formula C16H7Cl3F3N3O and molecular weight 418.96 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-(3,4-dichlorobenzoyl)prop-2-enenitrile.
Chemical Property Profile of C16H7Cl3F3N3O
Property Insights of C16H7Cl3F3N3O
The XLogP value of 5.76288 indicates that C16H7Cl3F3N3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H7Cl3F3N3O. Following Lipinski's Rule of Five, C16H7Cl3F3N3O 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 C16H7Cl3F3N3O?
The CAS number of C16H7Cl3F3N3O is 1025666-48-1.
What is the molecular formula of C16H7Cl3F3N3O?
The molecular formula of C16H7Cl3F3N3O is C16H7Cl3F3N3O.
What is the molecular weight of C16H7Cl3F3N3O?
The molecular weight of C16H7Cl3F3N3O is 418.96 g/mol.
Where can I buy C16H7Cl3F3N3O?
You can request a quote for C16H7Cl3F3N3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H7Cl3F3N3O?
Yes, KEHONG BIO provides custom synthesis services for C16H7Cl3F3N3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.