![(2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile structure](/static/products/3916/391649-92-6.webp)
(2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile
TL;DR: (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile (CAS 391649-92-6) is a chemical compound with molecular formula C20H19NO2 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile
Also Known As: (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile, (2E)-2-(2,2-dimethylpropanoyl)-3-(3-phenoxyphenyl)prop-2-enenitrile, (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylene]pentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(3-PHENOXYPHENYL)PROP-2-ENENITRILE
| Molecular Formula | C20H19NO2 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 5.00108 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.14157 |
| Heavy Atoms | 23 |
| Complexity | 762.21893 |
Chemical Identifiers
| CAS Number | 391649-92-6 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C(=C/C1=CC(=CC=C1)OC2=CC=CC=C2)/C#N |
Product Overview
(2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile (CAS 391649-92-6), with molecular formula C20H19NO2 and molecular weight 305.14 g/mol. IUPAC: (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile.
Chemical Property Profile of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile
Property Insights of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile
The XLogP value of 5.00108 indicates that (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile?
The CAS number of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile is 391649-92-6.
What is the molecular formula of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile?
The molecular formula of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile is C20H19NO2.
What is the molecular weight of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile?
The molecular weight of (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile is 305.14 g/mol.
Where can I buy (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile?
You can request a quote for (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4,4-dimethyl-3-oxo-2-[(3-phenoxyphenyl)methylidene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.