6-methoxy-2H-chromene-3-carbonitrile
TL;DR: 6-methoxy-2H-chromene-3-carbonitrile (CAS 57543-71-2) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-2H-chromene-3-carbonitrile
Also Known As: 6-methoxy-2H-chromene-3-carbonitrile, Bionet2_000290, 6-Methoxy-2H-1-benzopyran-3-carbonitrile, 6-methoxy-2h-3-chromenecarbonitrile, 2H-1-BENZOPYRAN-3-CARBONITRILE, 6-METHOXY-
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 57543-71-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OCC(=C2)C#N |
| InChIKey | QFFAZOPNBVZSGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-methoxy-2H-chromene-3-carbonitrile (CAS 57543-71-2), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 6-methoxy-2H-chromene-3-carbonitrile.
Chemical Property Profile of 6-methoxy-2H-chromene-3-carbonitrile
Property Insights of 6-methoxy-2H-chromene-3-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methoxy-2H-chromene-3-carbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 6-methoxy-2H-chromene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methoxy-2H-chromene-3-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 6-methoxy-2H-chromene-3-carbonitrile?
The CAS number of 6-methoxy-2H-chromene-3-carbonitrile is 57543-71-2.
What is the molecular formula of 6-methoxy-2H-chromene-3-carbonitrile?
The molecular formula of 6-methoxy-2H-chromene-3-carbonitrile is C11H9NO2.
What is the molecular weight of 6-methoxy-2H-chromene-3-carbonitrile?
The molecular weight of 6-methoxy-2H-chromene-3-carbonitrile is 187.06 g/mol.
Where can I buy 6-methoxy-2H-chromene-3-carbonitrile?
You can request a quote for 6-methoxy-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 6-methoxy-2H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-methoxy-2H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.