4-Oxo-4H-1-benzopyran-2-carbonitrile
TL;DR: 4-Oxo-4H-1-benzopyran-2-carbonitrile (CAS 5464-67-5) is a chemical compound with molecular formula C10H5NO2 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxochromene-2-carbonitrile
Also Known As: 2-Cyanochromone, cyanochromone, 4-oxo-4h-chromene-2-carbonitrile, 4-Oxo-4H-1-benzopyran-2-carbonitrile, 4H-1-Benzopyran-2-carbonitrile, 4-oxo-
| Molecular Formula | C10H5NO2 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.03203 |
| Heavy Atoms | 13 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 5464-67-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C=C(O2)C#N |
| InChIKey | CJEWQOCXIZVERD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-4H-1-benzopyran-2-carbonitrile (CAS 5464-67-5), with molecular formula C10H5NO2 and molecular weight 171.03 g/mol. IUPAC: 4-oxochromene-2-carbonitrile.
Chemical Property Profile of 4-Oxo-4H-1-benzopyran-2-carbonitrile
Property Insights of 4-Oxo-4H-1-benzopyran-2-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4H-1-benzopyran-2-carbonitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Oxo-4H-1-benzopyran-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-4H-1-benzopyran-2-carbonitrile has 0 hydrogen bond donor(s) and 3 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-Oxo-4H-1-benzopyran-2-carbonitrile?
The CAS number of 4-Oxo-4H-1-benzopyran-2-carbonitrile is 5464-67-5.
What is the molecular formula of 4-Oxo-4H-1-benzopyran-2-carbonitrile?
The molecular formula of 4-Oxo-4H-1-benzopyran-2-carbonitrile is C10H5NO2.
What is the molecular weight of 4-Oxo-4H-1-benzopyran-2-carbonitrile?
The molecular weight of 4-Oxo-4H-1-benzopyran-2-carbonitrile is 171.03 g/mol.
Where can I buy 4-Oxo-4H-1-benzopyran-2-carbonitrile?
You can request a quote for 4-Oxo-4H-1-benzopyran-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4H-1-benzopyran-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4H-1-benzopyran-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.