Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
TL;DR: Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- (CAS 77609-06-4) is a chemical compound with molecular formula C18H14N2O and molecular weight 274.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,3-diphenylpropyl)propanedinitrile
Also Known As: Cyto3D9, Maybridge3_001356, alpha-Phenacylbenzylmalononitrile, (alpha-Phenacylbenzyl)malononitrile, Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
| Molecular Formula | C18H14N2O |
|---|---|
| Molecular Weight | 274.11 g/mol |
| LogP | 3.70656 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.11063 |
| Heavy Atoms | 21 |
| Complexity | 666.65344 |
Chemical Identifiers
| CAS Number | 77609-06-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C#N)C#N |
Product Overview
Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- (CAS 77609-06-4), with molecular formula C18H14N2O and molecular weight 274.11 g/mol. IUPAC: 2-(3-oxo-1,3-diphenylpropyl)propanedinitrile.
Chemical Property Profile of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
Property Insights of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-
The XLogP value of 3.70656 indicates that Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-. Following Lipinski's Rule of Five, Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- 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 Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-?
The CAS number of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- is 77609-06-4.
What is the molecular formula of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-?
The molecular formula of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- is C18H14N2O.
What is the molecular weight of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-?
The molecular weight of Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- is 274.11 g/mol.
Where can I buy Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-?
You can request a quote for Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, (3-oxo-1,3-diphenylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, (3-oxo-1,3-diphenylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.