3-(2-Oxochromen-7-yl)oxypropanenitrile
TL;DR: 3-(2-Oxochromen-7-yl)oxypropanenitrile (CAS 20052-76-0) 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.
3-(2-oxochromen-7-yl)oxypropanenitrile
Also Known As: Propanenitrile, 3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-
| Molecular Formula | C12H9NO3 |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 2.08548 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.05824 |
| Heavy Atoms | 16 |
| Complexity | 594.97076 |
Chemical Identifiers
| CAS Number | 20052-76-0 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)OCCC#N |
Product Overview
3-(2-Oxochromen-7-yl)oxypropanenitrile (CAS 20052-76-0), with molecular formula C12H9NO3 and molecular weight 215.06 g/mol. IUPAC: 3-(2-oxochromen-7-yl)oxypropanenitrile.
Chemical Property Profile of 3-(2-Oxochromen-7-yl)oxypropanenitrile
Property Insights of 3-(2-Oxochromen-7-yl)oxypropanenitrile
The XLogP value of 2.08548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxochromen-7-yl)oxypropanenitrile. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Oxochromen-7-yl)oxypropanenitrile. Following Lipinski's Rule of Five, 3-(2-Oxochromen-7-yl)oxypropanenitrile 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 3-(2-Oxochromen-7-yl)oxypropanenitrile?
The CAS number of 3-(2-Oxochromen-7-yl)oxypropanenitrile is 20052-76-0.
What is the molecular formula of 3-(2-Oxochromen-7-yl)oxypropanenitrile?
The molecular formula of 3-(2-Oxochromen-7-yl)oxypropanenitrile is C12H9NO3.
What is the molecular weight of 3-(2-Oxochromen-7-yl)oxypropanenitrile?
The molecular weight of 3-(2-Oxochromen-7-yl)oxypropanenitrile is 215.06 g/mol.
Where can I buy 3-(2-Oxochromen-7-yl)oxypropanenitrile?
You can request a quote for 3-(2-Oxochromen-7-yl)oxypropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxochromen-7-yl)oxypropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxochromen-7-yl)oxypropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.