Propylene cyanohydrin
TL;DR: Propylene cyanohydrin (CAS 2567-01-3) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-methylpropanenitrile
Also Known As: 3-hydroxy-2-methylpropanenitrile, PROPYLENE CYANOHYDRIN, 3-Hydroxy-2-methylpropiononitrile, beta-hydroxyisobutyronitrile, Propanenitrile, 3-hydroxy-2-methyl-
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 2567-01-3 |
|---|---|
| SMILES | CC(CO)C#N |
| InChIKey | COZQDNPLORIALF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylene cyanohydrin (CAS 2567-01-3), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 3-hydroxy-2-methylpropanenitrile.
Chemical Property Profile of Propylene cyanohydrin
Property Insights of Propylene cyanohydrin
The XLogP value of -0.2 indicates that Propylene cyanohydrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.0 Ų, Propylene cyanohydrin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene cyanohydrin has 1 hydrogen bond donor(s) and 2 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 Propylene cyanohydrin?
The CAS number of Propylene cyanohydrin is 2567-01-3.
What is the molecular formula of Propylene cyanohydrin?
The molecular formula of Propylene cyanohydrin is C4H7NO.
What is the molecular weight of Propylene cyanohydrin?
The molecular weight of Propylene cyanohydrin is 85.05 g/mol.
Where can I buy Propylene cyanohydrin?
You can request a quote for Propylene cyanohydrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene cyanohydrin?
Yes, KEHONG BIO provides custom synthesis services for Propylene cyanohydrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.