2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
TL;DR: 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile (CAS 111861-25-7) is a chemical compound with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
Also Known As: 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile, BAS 00308573, 4H-1-Benzopyran-3-carbonitrile, 2-amino-7-hydroxy-4-phenyl-, 2-amino-3-cyano-7-hydroxy-4-phenyl-4hchromene, 2-Amino-3-cyano-4-phenyl-7-hydroxy-4H-1-benzopyran
| Molecular Formula | C16H12N2O2 |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.08987 |
| Heavy Atoms | 20 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 111861-25-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N |
| InChIKey | CTILPMYYGZYYLB-UHFFFAOYSA-N |
Product Overview
2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile (CAS 111861-25-7), with molecular formula C16H12N2O2 and molecular weight 264.09 g/mol. IUPAC: 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile.
Chemical Property Profile of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
Property Insights of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile has 2 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-hydroxy-4-phenyl-4H-chromene-3-carbonitrile?
The CAS number of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile is 111861-25-7.
What is the molecular formula of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile?
The molecular formula of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile is C16H12N2O2.
What is the molecular weight of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile?
The molecular weight of 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile is 264.09 g/mol.
Where can I buy 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile?
You can request a quote for 2-Amino-7-hydroxy-4-phenyl-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-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-7-hydroxy-4-phenyl-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.