1,3-Dioxolane-2-propiononitrile
TL;DR: 1,3-Dioxolane-2-propiononitrile (CAS 4388-58-3) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-dioxolan-2-yl)propanenitrile
Also Known As: 1,3-Dioxolane-2-propiononitrile, 1,3-dioxolane-2-propanenitrile, 3-(1,3-dioxolan-2-yl)propanenitrile, 1,3-Dioxolane-2-propionitrile, KST-1B4432
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 4388-58-3 |
|---|---|
| SMILES | C1COC(O1)CCC#N |
| InChIKey | ILNCXUYVDNKISU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxolane-2-propiononitrile (CAS 4388-58-3), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 3-(1,3-dioxolan-2-yl)propanenitrile.
Chemical Property Profile of 1,3-Dioxolane-2-propiononitrile
Property Insights of 1,3-Dioxolane-2-propiononitrile
The XLogP value of -0.1 indicates that 1,3-Dioxolane-2-propiononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.3 Ų, 1,3-Dioxolane-2-propiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolane-2-propiononitrile 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 1,3-Dioxolane-2-propiononitrile?
The CAS number of 1,3-Dioxolane-2-propiononitrile is 4388-58-3.
What is the molecular formula of 1,3-Dioxolane-2-propiononitrile?
The molecular formula of 1,3-Dioxolane-2-propiononitrile is C6H9NO2.
What is the molecular weight of 1,3-Dioxolane-2-propiononitrile?
The molecular weight of 1,3-Dioxolane-2-propiononitrile is 127.06 g/mol.
Where can I buy 1,3-Dioxolane-2-propiononitrile?
You can request a quote for 1,3-Dioxolane-2-propiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2-propiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2-propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.