4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile
TL;DR: 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile (CAS 83179-55-9) is a chemical compound with molecular formula C19H13NO5 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5,7-dimethoxy-2-oxochromene-3-carbonyl)benzonitrile
Also Known As: 4-(5,7-dimethoxy-2-oxochromene-3-carbonyl)benzonitrile, 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile, 4-(5,7-dimethoxy-2-oxo-chromene-3-carbonyl)benzonitrile, 4-[(5,7-Dimethoxy-2-oxo-2H-chromen-3-yl)carbonyl]benzonitrile, 4-[(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl]benzonitrile
| Molecular Formula | C19H13NO5 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07938 |
| Heavy Atoms | 25 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 83179-55-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C(C(=O)O2)C(=O)C3=CC=C(C=C3)C#N)C(=C1)OC |
| InChIKey | JAMIBQRHZIWFOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile (CAS 83179-55-9), with molecular formula C19H13NO5 and molecular weight 335.08 g/mol. IUPAC: 4-(5,7-dimethoxy-2-oxochromene-3-carbonyl)benzonitrile.
Chemical Property Profile of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile
Property Insights of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile
The XLogP value of 3.1 indicates that 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile. Following Lipinski's Rule of Five, 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile has 0 hydrogen bond donor(s) and 6 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-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile?
The CAS number of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile is 83179-55-9.
What is the molecular formula of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile?
The molecular formula of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile is C19H13NO5.
What is the molecular weight of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile?
The molecular weight of 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile is 335.08 g/mol.
Where can I buy 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile?
You can request a quote for 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.