![2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile structure](/static/products/2526/25260-36-0.webp)
2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile
TL;DR: 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile (CAS 25260-36-0) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetonitrile
Also Known As: null, Maybridge3_005297, (1-Pyrrolidino)Acetonitrile, 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-7-chromenyl)oxy]acetonitrile, 2-[(2,2-DIMETHYL-4-OXO-3,4-DIHYDRO-2H-CHROMEN-7-YL)OXY]ACETONITRILE
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.33278 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 499.8763 |
Chemical Identifiers
| CAS Number | 25260-36-0 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC#N)C |
Product Overview
2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile (CAS 25260-36-0), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetonitrile.
Chemical Property Profile of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile
Property Insights of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile
The XLogP value of 2.33278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile. With a topological polar surface area (TPSA) of 59.32 Ų, 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile 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 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile?
The CAS number of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile is 25260-36-0.
What is the molecular formula of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile?
The molecular formula of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile is C13H13NO3.
What is the molecular weight of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile?
The molecular weight of 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile is 231.09 g/mol.
Where can I buy 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile?
You can request a quote for 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,2-Dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-YL)oxy]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.