3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile
TL;DR: 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile (CAS 23600-54-6) is a chemical compound with molecular formula C13H11NO3 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
Also Known As: BAS 00534910, 3-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile, 3-(4-Methyl-2-oxo-2H-chromen-7-yloxy)-propionitrile, 3-(4-methyl-2-oxochromen-7-yloxy)propanenitrile, 3-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]propanenitrile
| Molecular Formula | C13H11NO3 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 2.3939 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.0739 |
| Heavy Atoms | 17 |
| Complexity | 637.13513 |
Chemical Identifiers
| CAS Number | 23600-54-6 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OCCC#N |
Product Overview
3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile (CAS 23600-54-6), with molecular formula C13H11NO3 and molecular weight 229.07 g/mol. IUPAC: 3-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile.
Chemical Property Profile of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile
Property Insights of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile
The XLogP value of 2.3939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile. Following Lipinski's Rule of Five, 3-(4-Methyl-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-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile?
The CAS number of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile is 23600-54-6.
What is the molecular formula of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile?
The molecular formula of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile is C13H11NO3.
What is the molecular weight of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile?
The molecular weight of 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile is 229.07 g/mol.
Where can I buy 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile?
You can request a quote for 3-(4-Methyl-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-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methyl-2-oxochromen-7-yl)oxypropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.