Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
TL;DR: Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate (CAS 355817-63-9) is a chemical compound with molecular formula C21H17Cl2NO5S and molecular weight 465.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Also Known As: BAS 02078611, phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate, 2-oxo-2-phenylethyl 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoate, 2-oxo-2-phenylethyl 2-(5,6-dichloro-1,3-dioxoisoindolin-2-yl)-4-(methylthio)butanoate
| Molecular Formula | C21H17Cl2NO5S |
|---|---|
| Molecular Weight | 465.02 g/mol |
| LogP | 4.1372 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.02045 |
| Heavy Atoms | 30 |
| Complexity | 970.95636 |
Chemical Identifiers
| CAS Number | 355817-63-9 |
|---|---|
| SMILES | CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl |
Product Overview
Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate (CAS 355817-63-9), with molecular formula C21H17Cl2NO5S and molecular weight 465.02 g/mol. IUPAC: phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate.
Chemical Property Profile of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
Property Insights of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
The XLogP value of 4.1372 indicates that Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate 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-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate. Following Lipinski's Rule of Five, Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate 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 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The CAS number of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is 355817-63-9.
What is the molecular formula of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The molecular formula of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is C21H17Cl2NO5S.
What is the molecular weight of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
The molecular weight of Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate is 465.02 g/mol.
Where can I buy Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
You can request a quote for Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.