5-Methyl-3-phenyl-4-isoxazolecarbonitrile
TL;DR: 5-Methyl-3-phenyl-4-isoxazolecarbonitrile (CAS 24400-67-7) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile
Also Known As: 5-methyl-3-phenyl-4-isoxazolecarbonitrile, 5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile, Bionet2_000027, 5-methyl-3-phenylisoxazole-4-carbonitrile, 4-Isoxazolecarbonitrile, 5-methyl-3-phenyl-
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.5217 |
| Topological Polar Surface Area | 49.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 479.7338 |
Chemical Identifiers
| CAS Number | 24400-67-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C#N |
Product Overview
5-Methyl-3-phenyl-4-isoxazolecarbonitrile (CAS 24400-67-7), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 5-methyl-3-phenyl-1,2-oxazole-4-carbonitrile.
Chemical Property Profile of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile
Property Insights of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile
The XLogP value of 2.5217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-phenyl-4-isoxazolecarbonitrile. With a topological polar surface area (TPSA) of 49.82 Ų, 5-Methyl-3-phenyl-4-isoxazolecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-phenyl-4-isoxazolecarbonitrile 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 5-Methyl-3-phenyl-4-isoxazolecarbonitrile?
The CAS number of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile is 24400-67-7.
What is the molecular formula of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile?
The molecular formula of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile is C11H8N2O.
What is the molecular weight of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile?
The molecular weight of 5-Methyl-3-phenyl-4-isoxazolecarbonitrile is 184.06 g/mol.
Where can I buy 5-Methyl-3-phenyl-4-isoxazolecarbonitrile?
You can request a quote for 5-Methyl-3-phenyl-4-isoxazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-phenyl-4-isoxazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-phenyl-4-isoxazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.