![4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile structure](/static/products/3292/329268-84-0.webp)
4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
TL;DR: 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile (CAS 329268-84-0) is a chemical compound with molecular formula C22H15N3O3S and molecular weight 401.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
Also Known As: 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile, 1,3-Dihydro-alpha-[4-(4-methylphenyl)-2-thiazolyl]-beta,1,3-trioxo-2H-isoindole-2-butanenitrile, 1,3-Dihydro-I+/--[4-(4-methylphenyl)-2-thiazolyl]-I(2),1,3-trioxo-2H-isoindole-2-butanenitrile, 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
| Molecular Formula | C22H15N3O3S |
|---|---|
| Molecular Weight | 401.08 g/mol |
| LogP | 3.591 |
| Topological Polar Surface Area | 91.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0834 |
| Heavy Atoms | 29 |
| Complexity | 1139.5132 |
Chemical Identifiers
| CAS Number | 329268-84-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)CN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile (CAS 329268-84-0), with molecular formula C22H15N3O3S and molecular weight 401.08 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile.
Chemical Property Profile of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
Property Insights of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile
The XLogP value of 3.591 indicates that 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile. Following Lipinski's Rule of Five, 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile 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 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile?
The CAS number of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile is 329268-84-0.
What is the molecular formula of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile?
The molecular formula of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile is C22H15N3O3S.
What is the molecular weight of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile?
The molecular weight of 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile is 401.08 g/mol.
Where can I buy 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile?
You can request a quote for 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxoisoindol-2-yl)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.