2-acetyl-3-aminobut-2-enenitrile
TL;DR: 2-acetyl-3-aminobut-2-enenitrile (CAS 497084-15-8) is a chemical compound with molecular formula C6H8N2O and molecular weight 124.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-aminobut-2-enenitrile
Also Known As: 2-acetyl-3-aminobut-2-enenitrile, (E)-2-acetyl-3-aminobut-2-enenitrile, 2-Butenenitrile, 2-acetyl-3-amino-, (2Z)- (9CI)
| Molecular Formula | C6H8N2O |
|---|---|
| Molecular Weight | 124.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.06366 |
| Heavy Atoms | 9 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 497084-15-8 |
|---|---|
| SMILES | CC(=C(C#N)C(=O)C)N |
| InChIKey | RDRVJVHEWGXCLC-UHFFFAOYSA-N |
Product Overview
2-acetyl-3-aminobut-2-enenitrile (CAS 497084-15-8), with molecular formula C6H8N2O and molecular weight 124.06 g/mol. IUPAC: 2-acetyl-3-aminobut-2-enenitrile.
Chemical Property Profile of 2-acetyl-3-aminobut-2-enenitrile
Property Insights of 2-acetyl-3-aminobut-2-enenitrile
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetyl-3-aminobut-2-enenitrile. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-acetyl-3-aminobut-2-enenitrile. Following Lipinski's Rule of Five, 2-acetyl-3-aminobut-2-enenitrile 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 2-acetyl-3-aminobut-2-enenitrile?
The CAS number of 2-acetyl-3-aminobut-2-enenitrile is 497084-15-8.
What is the molecular formula of 2-acetyl-3-aminobut-2-enenitrile?
The molecular formula of 2-acetyl-3-aminobut-2-enenitrile is C6H8N2O.
What is the molecular weight of 2-acetyl-3-aminobut-2-enenitrile?
The molecular weight of 2-acetyl-3-aminobut-2-enenitrile is 124.06 g/mol.
Where can I buy 2-acetyl-3-aminobut-2-enenitrile?
You can request a quote for 2-acetyl-3-aminobut-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetyl-3-aminobut-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-acetyl-3-aminobut-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.