(E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 317840-69-0) is a chemical compound with molecular formula C17H14BrN3O2 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-[(3-bromophenyl)methylideneamino]-4-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-7-[(3-bromophenyl)methylideneamino]-4-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile, 2-amino-7-{[(E)-(3-bromophenyl)methylidene]amino}-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C17H14BrN3O2 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 2.83258 |
| Topological Polar Surface Area | 92.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.02695 |
| Heavy Atoms | 23 |
| Complexity | 880.3828 |
Chemical Identifiers
| CAS Number | 317840-69-0 |
|---|---|
| SMILES | C1CC2=C(CC1N=CC3=CC(=CC=C3)Br)OC(=C(C2=O)C#N)N |
Product Overview
(E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 317840-69-0), with molecular formula C17H14BrN3O2 and molecular weight 371.03 g/mol. IUPAC: 2-amino-7-[(3-bromophenyl)methylideneamino]-4-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 2.83258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. The TPSA of 92.38 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile 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 (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 317840-69-0.
What is the molecular formula of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C17H14BrN3O2.
What is the molecular weight of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 371.03 g/mol.
Where can I buy (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-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 (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-amino-7-((3-bromobenzylidene)amino)-4-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.