4-Oxopent-2-enenitrile
TL;DR: 4-Oxopent-2-enenitrile (CAS 55728-58-0) is a chemical compound with molecular formula C5H5NO and molecular weight 95.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-oxopent-2-enenitrile
Also Known As: 4-oxopent-2-enenitrile, 4-Oxo-2-pentenenitrile, E-4-oxo-pent-2-enenitrile, 2-pentenenitrile, 4-oxo-, (E)-4-oxopent-2-enenitrile
| Molecular Formula | C5H5NO |
|---|---|
| Molecular Weight | 95.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 95.03712 |
| Heavy Atoms | 7 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 55728-58-0 |
|---|---|
| SMILES | CC(=O)/C=C/C#N |
| InChIKey | NNKSQQOADOOAKK-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxopent-2-enenitrile (CAS 55728-58-0), with molecular formula C5H5NO and molecular weight 95.04 g/mol. IUPAC: (E)-4-oxopent-2-enenitrile.
Chemical Property Profile of 4-Oxopent-2-enenitrile
Property Insights of 4-Oxopent-2-enenitrile
The XLogP value of -0.1 indicates that 4-Oxopent-2-enenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Oxopent-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxopent-2-enenitrile has 0 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 4-Oxopent-2-enenitrile?
The CAS number of 4-Oxopent-2-enenitrile is 55728-58-0.
What is the molecular formula of 4-Oxopent-2-enenitrile?
The molecular formula of 4-Oxopent-2-enenitrile is C5H5NO.
What is the molecular weight of 4-Oxopent-2-enenitrile?
The molecular weight of 4-Oxopent-2-enenitrile is 95.04 g/mol.
Where can I buy 4-Oxopent-2-enenitrile?
You can request a quote for 4-Oxopent-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-Oxopent-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxopent-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.