2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
TL;DR: 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 317840-34-9) is a chemical compound with molecular formula C22H17BrN2O2 and molecular weight 420.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C22H17BrN2O2 |
|---|---|
| Molecular Weight | 420.05 g/mol |
| LogP | 4.65758 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.04733 |
| Heavy Atoms | 27 |
| Complexity | 1018.10834 |
Chemical Identifiers
| CAS Number | 317840-34-9 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1OC(=C(C2C3=CC=CC=C3)C#N)N)C4=CC(=CC=C4)Br |
Product Overview
2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile (CAS 317840-34-9), with molecular formula C22H17BrN2O2 and molecular weight 420.05 g/mol. IUPAC: 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
Property Insights of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
The XLogP value of 4.65758 indicates that 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile 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 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The CAS number of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is 317840-34-9.
What is the molecular formula of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular formula of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is C22H17BrN2O2.
What is the molecular weight of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The molecular weight of 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile is 420.05 g/mol.
Where can I buy 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
You can request a quote for 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-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-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7-(3-bromophenyl)-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.