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3-Oxo-3H-benzo[f]chromene-2-carbonitrile
TL;DR: 3-Oxo-3H-benzo[f]chromene-2-carbonitrile (CAS 4352-88-9) is a chemical compound with molecular formula C14H7NO2 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobenzo[f]chromene-2-carbonitrile
Also Known As: 3-Oxo-3H-benzo[f]chromene-2-carbonitrile, 3-oxobenzo[f]chromene-2-carbonitrile, hydronaphtho[2,1-b]furan-2-one, 3-ketobenzo[f]chromene-2-carbonitrile, 3H-Naphtho[2,1-b]pyran-2-carbonitrile, 3-oxo-
| Molecular Formula | C14H7NO2 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.04768 |
| Heavy Atoms | 17 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4352-88-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C#N |
| InChIKey | DRKGVTRICWHXPE-UHFFFAOYSA-N |
Product Overview
3-Oxo-3H-benzo[f]chromene-2-carbonitrile (CAS 4352-88-9), with molecular formula C14H7NO2 and molecular weight 221.05 g/mol. IUPAC: 3-oxobenzo[f]chromene-2-carbonitrile.
Chemical Property Profile of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile
Property Insights of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile
The XLogP value of 3.1 indicates that 3-Oxo-3H-benzo[f]chromene-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 3-Oxo-3H-benzo[f]chromene-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3H-benzo[f]chromene-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 3-Oxo-3H-benzo[f]chromene-2-carbonitrile?
The CAS number of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile is 4352-88-9.
What is the molecular formula of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile?
The molecular formula of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile is C14H7NO2.
What is the molecular weight of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile?
The molecular weight of 3-Oxo-3H-benzo[f]chromene-2-carbonitrile is 221.05 g/mol.
Where can I buy 3-Oxo-3H-benzo[f]chromene-2-carbonitrile?
You can request a quote for 3-Oxo-3H-benzo[f]chromene-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-3H-benzo[f]chromene-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3H-benzo[f]chromene-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.