Phenacyl 4-(3,4-dicyanophenoxy)benzoate
TL;DR: Phenacyl 4-(3,4-dicyanophenoxy)benzoate (CAS 307330-33-2) is a chemical compound with molecular formula C23H14N2O4 and molecular weight 382.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-(3,4-dicyanophenoxy)benzoate
Also Known As: Phenacyl 4-(3,4-dicyanophenoxy)benzoate, BAS 00225203, 2-Oxo-2-phenylethyl 4-(3,4-dicyanophenoxy)benzoate, AB00074791-01, 2-Oxo-2-phenylethyl 4-(3,4-dicyanophenoxy)benzoate #
| Molecular Formula | C23H14N2O4 |
|---|---|
| Molecular Weight | 382.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.09537 |
| Heavy Atoms | 29 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 307330-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C#N)C#N |
| InChIKey | QEFAXPUDVMQLNN-UHFFFAOYSA-N |
Product Overview
Phenacyl 4-(3,4-dicyanophenoxy)benzoate (CAS 307330-33-2), with molecular formula C23H14N2O4 and molecular weight 382.10 g/mol. IUPAC: phenacyl 4-(3,4-dicyanophenoxy)benzoate.
Chemical Property Profile of Phenacyl 4-(3,4-dicyanophenoxy)benzoate
Property Insights of Phenacyl 4-(3,4-dicyanophenoxy)benzoate
The XLogP value of 4.2 indicates that Phenacyl 4-(3,4-dicyanophenoxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacyl 4-(3,4-dicyanophenoxy)benzoate. Following Lipinski's Rule of Five, Phenacyl 4-(3,4-dicyanophenoxy)benzoate has 0 hydrogen bond donor(s) and 6 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 Phenacyl 4-(3,4-dicyanophenoxy)benzoate?
The CAS number of Phenacyl 4-(3,4-dicyanophenoxy)benzoate is 307330-33-2.
What is the molecular formula of Phenacyl 4-(3,4-dicyanophenoxy)benzoate?
The molecular formula of Phenacyl 4-(3,4-dicyanophenoxy)benzoate is C23H14N2O4.
What is the molecular weight of Phenacyl 4-(3,4-dicyanophenoxy)benzoate?
The molecular weight of Phenacyl 4-(3,4-dicyanophenoxy)benzoate is 382.10 g/mol.
Where can I buy Phenacyl 4-(3,4-dicyanophenoxy)benzoate?
You can request a quote for Phenacyl 4-(3,4-dicyanophenoxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 4-(3,4-dicyanophenoxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 4-(3,4-dicyanophenoxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.