5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile
TL;DR: 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile (CAS 115652-10-3) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-3-(2-methylbutyl)pyrazine
Also Known As: N-(4-Cyanohexyl)phthalimide, 2-methoxy-3-(2-methylbutyl)pyrazine, Pyrazine, 2-methoxy-3-(2-methylbutyl)-, Pyrazine, 3-methoxy-2-(2-methylbutyl), 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 115652-10-3 |
|---|---|
| SMILES | CCC(C)CC1=NC=CN=C1OC |
| InChIKey | WRBWXGWEBJRYDC-UHFFFAOYSA-N |
Product Overview
5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile (CAS 115652-10-3), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 2-methoxy-3-(2-methylbutyl)pyrazine.
Chemical Property Profile of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile
Property Insights of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile
The XLogP value of 3.1 indicates that 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.0 Ų, 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile has 0 hydrogen bond donor(s) and 3 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 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile?
The CAS number of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile is 115652-10-3.
What is the molecular formula of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile?
The molecular formula of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile is C10H16N2O.
What is the molecular weight of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile?
The molecular weight of 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile is 180.13 g/mol.
Where can I buy 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile?
You can request a quote for 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-ethylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.