2,3-Epoxy-2-methylpropiononitrile
TL;DR: 2,3-Epoxy-2-methylpropiononitrile (CAS 37447-61-3) is a chemical compound with molecular formula C4H5NO and molecular weight 83.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyloxirane-2-carbonitrile
Also Known As: 2,3-Epoxy-2-methylpropiononitrile, 2-methyloxirane-2-carbonitrile, 2-Methyl-2-oxiranecarbonitrile, EINECS 253-507-6, 2-cyano-2-methyl-ethylene oxide
| Molecular Formula | C4H5NO |
|---|---|
| Molecular Weight | 83.04 g/mol |
| LogP | 0.29888 |
| Topological Polar Surface Area | 36.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 83.03712 |
| Heavy Atoms | 6 |
| Complexity | 98.605934 |
Chemical Identifiers
| CAS Number | 37447-61-3 |
|---|---|
| SMILES | CC1(CO1)C#N |
Product Overview
2,3-Epoxy-2-methylpropiononitrile (CAS 37447-61-3), with molecular formula C4H5NO and molecular weight 83.04 g/mol. IUPAC: 2-methyloxirane-2-carbonitrile.
Chemical Property Profile of 2,3-Epoxy-2-methylpropiononitrile
Property Insights of 2,3-Epoxy-2-methylpropiononitrile
The XLogP value of 0.29888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Epoxy-2-methylpropiononitrile. With a topological polar surface area (TPSA) of 36.32 Ų, 2,3-Epoxy-2-methylpropiononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Epoxy-2-methylpropiononitrile 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 2,3-Epoxy-2-methylpropiononitrile?
The CAS number of 2,3-Epoxy-2-methylpropiononitrile is 37447-61-3.
What is the molecular formula of 2,3-Epoxy-2-methylpropiononitrile?
The molecular formula of 2,3-Epoxy-2-methylpropiononitrile is C4H5NO.
What is the molecular weight of 2,3-Epoxy-2-methylpropiononitrile?
The molecular weight of 2,3-Epoxy-2-methylpropiononitrile is 83.04 g/mol.
Where can I buy 2,3-Epoxy-2-methylpropiononitrile?
You can request a quote for 2,3-Epoxy-2-methylpropiononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Epoxy-2-methylpropiononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Epoxy-2-methylpropiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.