4-Amino-3-hydroxybutanenitrile
TL;DR: 4-Amino-3-hydroxybutanenitrile (CAS 44595-48-4) is a chemical compound with molecular formula C4H8N2O and molecular weight 100.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-hydroxybutanenitrile
Also Known As: 4-amino-3-hydroxybutanenitrile, 4-amino-3-hydroxy-butanenitrile, (R)-4-AMINO-3-HYDROXYBUTYRONITRILE
| Molecular Formula | C4H8N2O |
|---|---|
| Molecular Weight | 100.06 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.06366 |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 44595-48-4 |
|---|---|
| SMILES | C(C#N)C(CN)O |
| InChIKey | AFSJSMGLWQBMPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3-hydroxybutanenitrile (CAS 44595-48-4), with molecular formula C4H8N2O and molecular weight 100.06 g/mol. IUPAC: 4-amino-3-hydroxybutanenitrile.
Chemical Property Profile of 4-Amino-3-hydroxybutanenitrile
Property Insights of 4-Amino-3-hydroxybutanenitrile
The XLogP value of -1.6 indicates that 4-Amino-3-hydroxybutanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-hydroxybutanenitrile. Following Lipinski's Rule of Five, 4-Amino-3-hydroxybutanenitrile 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-Amino-3-hydroxybutanenitrile?
The CAS number of 4-Amino-3-hydroxybutanenitrile is 44595-48-4.
What is the molecular formula of 4-Amino-3-hydroxybutanenitrile?
The molecular formula of 4-Amino-3-hydroxybutanenitrile is C4H8N2O.
What is the molecular weight of 4-Amino-3-hydroxybutanenitrile?
The molecular weight of 4-Amino-3-hydroxybutanenitrile is 100.06 g/mol.
Where can I buy 4-Amino-3-hydroxybutanenitrile?
You can request a quote for 4-Amino-3-hydroxybutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-hydroxybutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-hydroxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.