2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 512810-50-3) is a chemical compound with molecular formula C23H16Cl2F2N2O and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8E)-2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (8E)-2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, (8E)-2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile, (8E)-2-AMINO-4-(2-CHLORO-6-FLUOROPHENYL)-8-[(2-CHLORO-6-FLUOROPHENYL)METHYLIDENE]-5,6,7,8-TETRAHYDRO-4H-CHROMENE-3-CARBONITRILE, (e)-2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4h-chromene-3-carbonitrile
| Molecular Formula | C23H16Cl2F2N2O |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 6.60088 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.06076 |
| Heavy Atoms | 30 |
| Complexity | 1137.7109 |
Chemical Identifiers
| CAS Number | 512810-50-3 |
|---|---|
| SMILES | C1C/C(=C\C2=C(C=CC=C2Cl)F)/C3=C(C1)C(C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)F |
Product Overview
2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 512810-50-3), with molecular formula C23H16Cl2F2N2O and molecular weight 444.06 g/mol. IUPAC: (8E)-2-amino-4-(2-chloro-6-fluorophenyl)-8-[(2-chloro-6-fluorophenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 6.60088 indicates that 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.04 Ų, 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 512810-50-3.
What is the molecular formula of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C23H16Cl2F2N2O.
What is the molecular weight of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 444.06 g/mol.
Where can I buy 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-8-(2-chloro-6-fluorobenzylidene)-4-(2-chloro-6-fluorophenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.