3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile
TL;DR: 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile (CAS 70625-15-9) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile
Also Known As: 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile, 3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 70625-15-9 |
|---|---|
| SMILES | C1CC([N+](=C1)[O-])CC(CC#N)O |
| InChIKey | KQLYQERIKGYNBG-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile (CAS 70625-15-9), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 3-hydroxy-4-(1-oxido-3,4-dihydro-2H-pyrrol-1-ium-2-yl)butanenitrile.
Chemical Property Profile of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile
Property Insights of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile
The XLogP value of -1.4 indicates that 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile. Following Lipinski's Rule of Five, 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile has 1 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 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile?
The CAS number of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile is 70625-15-9.
What is the molecular formula of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile?
The molecular formula of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile is C8H12N2O2.
What is the molecular weight of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile?
The molecular weight of 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile is 168.09 g/mol.
Where can I buy 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile?
You can request a quote for 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-(1-oxo-3,4-dihydro-2H-1lambda~5~-pyrrol-2-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.