Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate
TL;DR: Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate (CAS 335390-85-7) is a chemical compound with molecular formula C22H21NO5 and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate
Also Known As: BAS 02800370, phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate, 2-oxo-2-phenylethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate, 2-oxo-2-phenylethyl 2-(1,3-dioxoisoindolin-2-yl)hexanoate, 2-oxo-2-phenylethyl 2-(1,3-dioxobenzo[c]azolin-2-yl)hexanoate
| Molecular Formula | C22H21NO5 |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.2675 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.14197 |
| Heavy Atoms | 28 |
| Complexity | 871.15295 |
Chemical Identifiers
| CAS Number | 335390-85-7 |
|---|---|
| SMILES | CCCCC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate (CAS 335390-85-7), with molecular formula C22H21NO5 and molecular weight 379.14 g/mol. IUPAC: phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate.
Chemical Property Profile of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate
Property Insights of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate
The XLogP value of 3.2675 indicates that Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate. Following Lipinski's Rule of Five, Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate has 0 hydrogen bond donor(s) and 5 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 2-(1,3-dioxoisoindol-2-yl)hexanoate?
The CAS number of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate is 335390-85-7.
What is the molecular formula of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate?
The molecular formula of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate is C22H21NO5.
What is the molecular weight of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate?
The molecular weight of Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate is 379.14 g/mol.
Where can I buy Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate?
You can request a quote for Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 2-(1,3-dioxoisoindol-2-yl)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.