4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile
TL;DR: 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile (CAS 13635-07-9) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)-3-hydroxybutanenitrile
Also Known As: N-(3-Cyano-2-hydroxypropyl)phthalimide, N-(3-cyano-2-hydroxypropyl)-phthalimide, 4-(1,3-dioxoisoindol-2-yl)-3-hydroxybutanenitrile, 3-Hydroxy-4-(1,3-dioxoisoindoline-2-yl)butanenitrile, 1,3-Dihydro-I(2)-hydroxy-1,3-dioxo-2H-isoindole-2-butanenitrile
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 0.55718 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 483.72717 |
Chemical Identifiers
| CAS Number | 13635-07-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC(CC#N)O |
Product Overview
4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile (CAS 13635-07-9), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)-3-hydroxybutanenitrile.
Chemical Property Profile of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile
Property Insights of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile
The XLogP value of 0.55718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile. Following Lipinski's Rule of Five, 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile has 1 hydrogen bond donor(s) and 4 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)-3-hydroxybutanenitrile?
The CAS number of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile is 13635-07-9.
What is the molecular formula of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile?
The molecular formula of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile is C12H10N2O3.
What is the molecular weight of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile?
The molecular weight of 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile is 230.07 g/mol.
Where can I buy 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile?
You can request a quote for 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile 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)-3-hydroxybutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.