4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-
TL;DR: 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- (CAS 143957-76-0) is a chemical compound with molecular formula C13H14N2O and molecular weight 214.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenyl-2-(2-methylphenyl)-1,2-oxazolidine-4-carbonitrile
Also Known As: Nitromyrtane, 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-, 2-(o-Tolyl)-3-vinylisoxazolidine-4-carbonitrile, 3-ethenyl-2-(2-methylphenyl)-1,2-oxazolidine-4-carbonitrile
| Molecular Formula | C13H14N2O |
|---|---|
| Molecular Weight | 214.11 g/mol |
| LogP | 2.441 |
| Topological Polar Surface Area | 36.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.11061 |
| Heavy Atoms | 16 |
| Complexity | 435.8039 |
Chemical Identifiers
| CAS Number | 143957-76-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(C(CO2)C#N)C=C |
Product Overview
4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- (CAS 143957-76-0), with molecular formula C13H14N2O and molecular weight 214.11 g/mol. IUPAC: 3-ethenyl-2-(2-methylphenyl)-1,2-oxazolidine-4-carbonitrile.
Chemical Property Profile of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-
Property Insights of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-
The XLogP value of 2.441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-. With a topological polar surface area (TPSA) of 36.26 Ų, 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- has 0 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 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-?
The CAS number of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- is 143957-76-0.
What is the molecular formula of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-?
The molecular formula of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- is C13H14N2O.
What is the molecular weight of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-?
The molecular weight of 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- is 214.11 g/mol.
Where can I buy 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-?
You can request a quote for 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolidinecarbonitrile, 3-ethenyl-2-(2-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.