3-Hydroxybutanenitrile
TL;DR: 3-Hydroxybutanenitrile (CAS 4368-06-3) 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-hydroxybutanenitrile
Also Known As: 3-hydroxybutanenitrile, 3-Hydroxybutyronitrile, beta-Hydroxybutyronitrile, (S)-3-Hydroxybutanenitrile, beta-hydroxybutanenitrile
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | -0.3 |
| 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 | 4368-06-3 |
|---|---|
| SMILES | CC(CC#N)O |
| InChIKey | BYJAJQGCMSBKPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxybutanenitrile (CAS 4368-06-3), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 3-hydroxybutanenitrile.
Chemical Property Profile of 3-Hydroxybutanenitrile
Property Insights of 3-Hydroxybutanenitrile
The XLogP value of -0.3 indicates that 3-Hydroxybutanenitrile 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, 3-Hydroxybutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxybutanenitrile 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 3-Hydroxybutanenitrile?
The CAS number of 3-Hydroxybutanenitrile is 4368-06-3.
What is the molecular formula of 3-Hydroxybutanenitrile?
The molecular formula of 3-Hydroxybutanenitrile is C4H7NO.
What is the molecular weight of 3-Hydroxybutanenitrile?
The molecular weight of 3-Hydroxybutanenitrile is 85.05 g/mol.
Where can I buy 3-Hydroxybutanenitrile?
You can request a quote for 3-Hydroxybutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxybutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.