3-Acetyl-2-imino-4-oxopentanenitrile
TL;DR: 3-Acetyl-2-imino-4-oxopentanenitrile (CAS 88147-10-8) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-oxobutanimidoyl cyanide
Also Known As: 2-acetyl-3-oxobutanimidoyl cyanide, 3-Acetyl-2-imino-4-oxopentanenitrile
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 88147-10-8 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)C(=N)C#N |
| InChIKey | YELYOBIYCQJRMK-UHFFFAOYSA-N |
Product Overview
3-Acetyl-2-imino-4-oxopentanenitrile (CAS 88147-10-8), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: 2-acetyl-3-oxobutanimidoyl cyanide.
Chemical Property Profile of 3-Acetyl-2-imino-4-oxopentanenitrile
Property Insights of 3-Acetyl-2-imino-4-oxopentanenitrile
The XLogP value of -0.2 indicates that 3-Acetyl-2-imino-4-oxopentanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-2-imino-4-oxopentanenitrile. Following Lipinski's Rule of Five, 3-Acetyl-2-imino-4-oxopentanenitrile has 1 hydrogen bond donor(s) and 4 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-Acetyl-2-imino-4-oxopentanenitrile?
The CAS number of 3-Acetyl-2-imino-4-oxopentanenitrile is 88147-10-8.
What is the molecular formula of 3-Acetyl-2-imino-4-oxopentanenitrile?
The molecular formula of 3-Acetyl-2-imino-4-oxopentanenitrile is C7H8N2O2.
What is the molecular weight of 3-Acetyl-2-imino-4-oxopentanenitrile?
The molecular weight of 3-Acetyl-2-imino-4-oxopentanenitrile is 152.06 g/mol.
Where can I buy 3-Acetyl-2-imino-4-oxopentanenitrile?
You can request a quote for 3-Acetyl-2-imino-4-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-2-imino-4-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-2-imino-4-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.