I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile
TL;DR: I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile (CAS 73663-78-2) is a chemical compound with molecular formula C17H16N2O and molecular weight 264.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(N-methylanilino)-3-oxo-2-phenylbutanenitrile
Also Known As: NCIOpen2_007046, Acetoacetonitrile, 4-(N-methylanilino)-2-phenyl-, 4-(N-methylanilino)-3-oxo-2-phenylbutanenitrile, 2-(2-(N-Methylanilino)acetyl)-2-phenylacetonitrile, ACETONITRILE, 2-(2-(N-METHYLANILINO)ACETYL)-2-PHENYL-
| Molecular Formula | C17H16N2O |
|---|---|
| Molecular Weight | 264.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.12625 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 73663-78-2 |
|---|---|
| SMILES | CN(CC(=O)C(C#N)C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | DZBBLJWSVLNSSO-UHFFFAOYSA-N |
Product Overview
I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile (CAS 73663-78-2), with molecular formula C17H16N2O and molecular weight 264.13 g/mol. IUPAC: 4-(N-methylanilino)-3-oxo-2-phenylbutanenitrile.
Chemical Property Profile of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile
Property Insights of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile
The XLogP value of 3.4 indicates that I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile 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 I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile?
The CAS number of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile is 73663-78-2.
What is the molecular formula of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile?
The molecular formula of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile is C17H16N2O.
What is the molecular weight of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile?
The molecular weight of I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile is 264.13 g/mol.
Where can I buy I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile?
You can request a quote for I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for I+--(2-(Methylphenylamino)acetyl)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.