8-ethoxy-2-oxo-2H-chromene-3-carbonitrile
TL;DR: 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile (CAS 76238-95-4) is a chemical compound with molecular formula C12H9NO3 and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethoxy-2-oxochromene-3-carbonitrile
Also Known As: IFLab1_001347, 8-ethoxy-2-oxochromene-3-carbonitrile, 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile, IDI1_009214
| Molecular Formula | C12H9NO3 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.05824 |
| Heavy Atoms | 16 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 76238-95-4 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(=O)C(=C2)C#N |
| InChIKey | OBSIIRZHOBHDEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-ethoxy-2-oxo-2H-chromene-3-carbonitrile (CAS 76238-95-4), with molecular formula C12H9NO3 and molecular weight 215.06 g/mol. IUPAC: 8-ethoxy-2-oxochromene-3-carbonitrile.
Chemical Property Profile of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile
Property Insights of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile. With a topological polar surface area (TPSA) of 59.3 Ų, 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile 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 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile?
The CAS number of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile is 76238-95-4.
What is the molecular formula of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile?
The molecular formula of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile is C12H9NO3.
What is the molecular weight of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile?
The molecular weight of 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile is 215.06 g/mol.
Where can I buy 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile?
You can request a quote for 8-ethoxy-2-oxo-2H-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 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 8-ethoxy-2-oxo-2H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.