3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone
TL;DR: 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone (CAS 6984-93-6) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-2H-1,2-oxazol-5-one
Also Known As: 3,3'-dimethyl-[4,5']biisoxazolyl-5-ol, 3,3'-Dimethyl-[4,5'-biisoxazol]-5(2H)-one, [4,5'-Biisoxazol]-5(2H)-one, 3,3'-dimethyl-, J1.116.586I, J1.392.983A
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 6984-93-6 |
|---|---|
| SMILES | CC1=NOC(=C1)C2=C(NOC2=O)C |
| InChIKey | XVQDGVDNOXDOME-UHFFFAOYSA-N |
Product Overview
3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone (CAS 6984-93-6), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: 3-methyl-4-(3-methyl-1,2-oxazol-5-yl)-2H-1,2-oxazol-5-one.
Chemical Property Profile of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone
Property Insights of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone. Following Lipinski's Rule of Five, 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone has 1 hydrogen bond donor(s) and 5 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-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone?
The CAS number of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone is 6984-93-6.
What is the molecular formula of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone?
The molecular formula of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone is C8H8N2O3.
What is the molecular weight of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone?
The molecular weight of 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone is 180.05 g/mol.
Where can I buy 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone?
You can request a quote for 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone 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-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(3-methyl-5(2H)-isoxazolylidene)-5(4H)-isoxazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.