![4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile structure](/static/products/3641/36417-23-9.webp)
4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile
TL;DR: 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile (CAS 36417-23-9) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile
Also Known As: 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile, 4,4'-(1,3-dioxolane-2,2-diyl)dibutanenitrile, 4,4'-[1,3]dioxolane-2,2-diyl-bis-butyronitrile, RefChem:357235
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 36417-23-9 |
|---|---|
| SMILES | C1COC(O1)(CCCC#N)CCCC#N |
| InChIKey | VCBTUNAHDSEABM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile (CAS 36417-23-9), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile.
Chemical Property Profile of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile
Property Insights of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile. Following Lipinski's Rule of Five, 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile has 0 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-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile?
The CAS number of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile is 36417-23-9.
What is the molecular formula of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile?
The molecular formula of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile is C11H16N2O2.
What is the molecular weight of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile?
The molecular weight of 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile is 208.12 g/mol.
Where can I buy 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile?
You can request a quote for 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(3-cyanopropyl)-1,3-dioxolan-2-yl]butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.