![3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one structure](/static/products/760/76075-51-9.png)
3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one
TL;DR: 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one (CAS 76075-51-9) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one
Also Known As: 3-methyl-4-(3-methyl-anilinomethylene)-4H-isoxazol-5-one, 3-methyl-4-[(3-methylanilino)methylidene]-1,2-oxazol-5-one, (4Z)-3-methyl-4-[(3-methylanilino)methylidene]-1,2-oxazol-5-one, 3-methyl-4-[[(3-methylphenyl)amino]methylidene]-1,2-oxazol-5-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 2.33534 |
| Topological Polar Surface Area | 58.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 578.6998 |
Chemical Identifiers
| CAS Number | 76075-51-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N=CC2=C(NOC2=O)C |
Product Overview
3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one (CAS 76075-51-9), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one.
Chemical Property Profile of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one
Property Insights of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one
The XLogP value of 2.33534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one. With a topological polar surface area (TPSA) of 58.36 Ų, 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one has 1 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 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one?
The CAS number of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one is 76075-51-9.
What is the molecular formula of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one?
The molecular formula of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one is C12H12N2O2.
What is the molecular weight of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one?
The molecular weight of 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one is 216.09 g/mol.
Where can I buy 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one?
You can request a quote for 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-[(3-methylphenyl)iminomethyl]-2H-1,2-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.