C16H8ClF3N4O
TL;DR: C16H8ClF3N4O (CAS 1023558-62-4) is a chemical compound with molecular formula C16H8ClF3N4O and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methylidene]propanedinitrile
Also Known As: (((4-(3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY)PHENYL)AMINO)METHYLENE)METHANE-1,1-DICARBONITRILE, 2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]methylidene]propanedinitrile, 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]anilino]methylene]propanedinitrile, 2-[[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]amino]methylidene]propanedinitrile, 2-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}propanedinitrile
| Molecular Formula | C16H8ClF3N4O |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 4.88906 |
| Topological Polar Surface Area | 81.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.03387 |
| Heavy Atoms | 25 |
| Complexity | 864.2236 |
Chemical Identifiers
| CAS Number | 1023558-62-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC=C(C#N)C#N)OC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
C16H8ClF3N4O (CAS 1023558-62-4), with molecular formula C16H8ClF3N4O and molecular weight 364.03 g/mol. IUPAC: 2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]methylidene]propanedinitrile.
Chemical Property Profile of C16H8ClF3N4O
Property Insights of C16H8ClF3N4O
The XLogP value of 4.88906 indicates that C16H8ClF3N4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.73 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H8ClF3N4O. Following Lipinski's Rule of Five, C16H8ClF3N4O has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C16H8ClF3N4O?
The CAS number of C16H8ClF3N4O is 1023558-62-4.
What is the molecular formula of C16H8ClF3N4O?
The molecular formula of C16H8ClF3N4O is C16H8ClF3N4O.
What is the molecular weight of C16H8ClF3N4O?
The molecular weight of C16H8ClF3N4O is 364.03 g/mol.
Where can I buy C16H8ClF3N4O?
You can request a quote for C16H8ClF3N4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H8ClF3N4O?
Yes, KEHONG BIO provides custom synthesis services for C16H8ClF3N4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.