![Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- structure](/static/products/7760/77609-12-2.webp)
Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-
TL;DR: Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- (CAS 77609-12-2) is a chemical compound with molecular formula C18H13ClN2O and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
Also Known As: J1.554.881I, 2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile, Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-, 1-(4-Chlorophenyl)-3-phenyl-4,4-dicyano-1-butanone, [3-(4-Chlorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
| Molecular Formula | C18H13ClN2O |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 4.35996 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.07166 |
| Heavy Atoms | 22 |
| Complexity | 712.4227 |
Chemical Identifiers
| CAS Number | 77609-12-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C(C#N)C#N |
Product Overview
Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- (CAS 77609-12-2), with molecular formula C18H13ClN2O and molecular weight 308.07 g/mol. IUPAC: 2-[3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]propanedinitrile.
Chemical Property Profile of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-
Property Insights of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-
The XLogP value of 4.35996 indicates that Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- 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-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-. Following Lipinski's Rule of Five, Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- 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-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-?
The CAS number of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- is 77609-12-2.
What is the molecular formula of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-?
The molecular formula of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- is C18H13ClN2O.
What is the molecular weight of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-?
The molecular weight of Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- is 308.07 g/mol.
Where can I buy Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-?
You can request a quote for Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]-?
Yes, KEHONG BIO provides custom synthesis services for Propanedinitrile, [3-(4-chlorophenyl)-3-oxo-1-phenylpropyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.