![3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile structure](/static/products/5543/55438-48-7.webp)
3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile
TL;DR: 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile (CAS 55438-48-7) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile
Also Known As: 3-methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 55438-48-7 |
|---|---|
| SMILES | CN1C=CC2C(CC2C1=O)C#N |
| InChIKey | OKLBYRIGHUVHDB-UHFFFAOYSA-N |
Product Overview
3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile (CAS 55438-48-7), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 3-methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile.
Chemical Property Profile of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile
Property Insights of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile
The XLogP value of -0.2 indicates that 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.1 Ų, 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile 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 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile?
The CAS number of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile is 55438-48-7.
What is the molecular formula of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile?
The molecular formula of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile is C9H10N2O.
What is the molecular weight of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile?
The molecular weight of 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile is 162.08 g/mol.
Where can I buy 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile?
You can request a quote for 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxo-3-azabicyclo[4.2.0]oct-4-ene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.