4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate
TL;DR: 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate (CAS 744240-29-7) is a chemical compound with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)butyl 2-methylsulfanylpyridine-3-carboxylate
Also Known As: starbld0007386, 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate, 4-(1,3-dioxoisoindol-2-yl)butyl 2-methylsulfanylpyridine-3-carboxylate, 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butyl 2-(methylsulfanyl)pyridine-3-carboxylate
| Molecular Formula | C19H18N2O4S |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.0367 |
| Topological Polar Surface Area | 76.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.09872 |
| Heavy Atoms | 26 |
| Complexity | 817.9377 |
Chemical Identifiers
| CAS Number | 744240-29-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate (CAS 744240-29-7), with molecular formula C19H18N2O4S and molecular weight 370.10 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)butyl 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate
Property Insights of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate
The XLogP value of 3.0367 indicates that 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate. Following Lipinski's Rule of Five, 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate 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-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate?
The CAS number of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate is 744240-29-7.
What is the molecular formula of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate?
The molecular formula of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate is C19H18N2O4S.
What is the molecular weight of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate?
The molecular weight of 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate is 370.10 g/mol.
Where can I buy 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate?
You can request a quote for 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate 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-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dioxoisoindolin-2-yl)butyl 2-(methylthio)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.