4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile
TL;DR: 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile (CAS 29768-68-1) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-(hydroxymethyl)but-2-enenitrile
Also Known As: 4-hydroxy-3-(hydroxymethyl)but-2-enenitrile, 1-Cyano-2-hydroxymethylprop-1-ene-3-ol, 4-Hydroxy-3-hydroxymethyl-2-butenenitrile, 2-Butenenitrile, 4-hydroxy-3-(hydroxymethyl)-, 4-hydroxy-3-(hydroxymethyl)-2-butenenitrile
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | -0.57902 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 116.880585 |
Chemical Identifiers
| CAS Number | 29768-68-1 |
|---|---|
| SMILES | C(C(=CC#N)CO)O |
Product Overview
4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile (CAS 29768-68-1), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 4-hydroxy-3-(hydroxymethyl)but-2-enenitrile.
Chemical Property Profile of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile
Property Insights of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile
The XLogP value of -0.57902 indicates that 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile. Following Lipinski's Rule of Five, 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile has 2 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 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile?
The CAS number of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile is 29768-68-1.
What is the molecular formula of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile?
The molecular formula of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile is C5H7NO2.
What is the molecular weight of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile?
The molecular weight of 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile is 113.05 g/mol.
Where can I buy 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile?
You can request a quote for 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-3-(hydroxymethyl)but-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.