4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-
TL;DR: 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- (CAS 54646-75-2) is a chemical compound with molecular formula C11H7NO3 and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-oxochromene-2-carbonitrile
Also Known As: 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-, 5-Methoxy-4-oxo-4H-1-benzopyran-2-carbonitrile, 5-methoxy-4-oxochromene-2-carbonitrile, 5-methoxy-4-oxo-4h-chromene-2-carbonitrile, 5-18-09-00075 (Beilstein Handbook Reference)
| Molecular Formula | C11H7NO3 |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04259 |
| Heavy Atoms | 15 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 54646-75-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C=C(O2)C#N |
| InChIKey | BMVQNVITYXDTLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- (CAS 54646-75-2), with molecular formula C11H7NO3 and molecular weight 201.04 g/mol. IUPAC: 5-methoxy-4-oxochromene-2-carbonitrile.
Chemical Property Profile of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-
Property Insights of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-. With a topological polar surface area (TPSA) of 59.3 Ų, 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- has 0 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 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-?
The CAS number of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- is 54646-75-2.
What is the molecular formula of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-?
The molecular formula of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- is C11H7NO3.
What is the molecular weight of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-?
The molecular weight of 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- is 201.04 g/mol.
Where can I buy 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-?
You can request a quote for 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carbonitrile, 5-methoxy-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.