![4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile structure](/static/products/672/672276-86-7.png)
4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile
TL;DR: 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile (CAS 672276-86-7) is a chemical compound with molecular formula C17H12Cl2F3N3O and molecular weight 401.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6-dichloroanilino)-2,3,5-trifluoro-6-morpholin-4-ylbenzonitrile
Also Known As: 4-((2,6-dichlorophenyl)amino)-2,3,5-trifluoro-6-morpholinobenzonitrile, 4-(2,6-dichloroanilino)-2,3,5-trifluoro-6-morpholin-4-ylbenzonitrile, 4-[(2,6-dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile
| Molecular Formula | C17H12Cl2F3N3O |
|---|---|
| Molecular Weight | 401.03 g/mol |
| LogP | 4.86258 |
| Topological Polar Surface Area | 48.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.03094 |
| Heavy Atoms | 26 |
| Complexity | 875.79254 |
Chemical Identifiers
| CAS Number | 672276-86-7 |
|---|---|
| SMILES | C1COCCN1C2=C(C(=C(C(=C2F)NC3=C(C=CC=C3Cl)Cl)F)F)C#N |
Product Overview
4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile (CAS 672276-86-7), with molecular formula C17H12Cl2F3N3O and molecular weight 401.03 g/mol. IUPAC: 4-(2,6-dichloroanilino)-2,3,5-trifluoro-6-morpholin-4-ylbenzonitrile.
Chemical Property Profile of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile
Property Insights of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile
The XLogP value of 4.86258 indicates that 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.29 Ų, 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile has 1 hydrogen bond donor(s) and 4 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 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile?
The CAS number of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile is 672276-86-7.
What is the molecular formula of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile?
The molecular formula of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile is C17H12Cl2F3N3O.
What is the molecular weight of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile?
The molecular weight of 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile is 401.03 g/mol.
Where can I buy 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile?
You can request a quote for 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,6-Dichlorophenyl)amino]-2,3,5-trifluoro-6-(morpholin-4-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.