4-Isocyanato-3-Methyl-5-Phenylisoxazole
TL;DR: 4-Isocyanato-3-Methyl-5-Phenylisoxazole (CAS 352018-89-4) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isocyanato-3-methyl-5-phenyl-1,2-oxazole
Also Known As: 4-Isocyanato-3-Methyl-5-Phenylisoxazole, 4-isocyanato-3-methyl-5-phenyl-1,2-oxazole, 3-Methyl-5-phenylisoxazol-4-yl isocyanate, Isoxazole,4-isocyanato-3-methyl-5-phenyl-, 3-methyl-5-phenylisoxazol-4-isocyanate
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 2.61732 |
| Topological Polar Surface Area | 55.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 510.63913 |
Chemical Identifiers
| CAS Number | 352018-89-4 |
|---|---|
| SMILES | CC1=NOC(=C1N=C=O)C2=CC=CC=C2 |
Product Overview
4-Isocyanato-3-Methyl-5-Phenylisoxazole (CAS 352018-89-4), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: 4-isocyanato-3-methyl-5-phenyl-1,2-oxazole.
Chemical Property Profile of 4-Isocyanato-3-Methyl-5-Phenylisoxazole
Property Insights of 4-Isocyanato-3-Methyl-5-Phenylisoxazole
The XLogP value of 2.61732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isocyanato-3-Methyl-5-Phenylisoxazole. With a topological polar surface area (TPSA) of 55.46 Ų, 4-Isocyanato-3-Methyl-5-Phenylisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isocyanato-3-Methyl-5-Phenylisoxazole has 0 hydrogen bond donor(s) and 4 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-Isocyanato-3-Methyl-5-Phenylisoxazole?
The CAS number of 4-Isocyanato-3-Methyl-5-Phenylisoxazole is 352018-89-4.
What is the molecular formula of 4-Isocyanato-3-Methyl-5-Phenylisoxazole?
The molecular formula of 4-Isocyanato-3-Methyl-5-Phenylisoxazole is C11H8N2O2.
What is the molecular weight of 4-Isocyanato-3-Methyl-5-Phenylisoxazole?
The molecular weight of 4-Isocyanato-3-Methyl-5-Phenylisoxazole is 200.06 g/mol.
Where can I buy 4-Isocyanato-3-Methyl-5-Phenylisoxazole?
You can request a quote for 4-Isocyanato-3-Methyl-5-Phenylisoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isocyanato-3-Methyl-5-Phenylisoxazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Isocyanato-3-Methyl-5-Phenylisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.