5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione
TL;DR: 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione (CAS 35245-19-3) is a chemical compound with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-phenyl-7,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione
Also Known As: 5-methyl-3-phenyl-7,7a-dihydro[1,2]oxazolo[5,4-d]pyrimidine-4,6(3ah,5h)-dione, 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo[5,4-d]pyrimidine-4,6(3aH,5H)-dione, 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione, 5-methyl-3-phenyl-7,7a-dihydro-3aH-isoxazolo[5,4-d]pyrimidine-4,6-dione, Isoxazolo[5,6(5H,7H)-dione, 3a,7a-dihydro-5-methyl-3-phenyl-, cis-
| Molecular Formula | C12H11N3O3 |
|---|---|
| Molecular Weight | 245.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.08005 |
| Heavy Atoms | 18 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 35245-19-3 |
|---|---|
| SMILES | CN1C(=O)C2C(NC1=O)ON=C2C3=CC=CC=C3 |
| InChIKey | QQLJDTDSFGWZDK-UHFFFAOYSA-N |
Product Overview
5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione (CAS 35245-19-3), with molecular formula C12H11N3O3 and molecular weight 245.08 g/mol. IUPAC: 5-methyl-3-phenyl-7,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]pyrimidine-4,6-dione.
Chemical Property Profile of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione
Property Insights of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione. Following Lipinski's Rule of Five, 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione has 1 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 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione?
The CAS number of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione is 35245-19-3.
What is the molecular formula of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione?
The molecular formula of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione is C12H11N3O3.
What is the molecular weight of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione?
The molecular weight of 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione is 245.08 g/mol.
Where can I buy 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione?
You can request a quote for 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione 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-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-phenyl-7,7a-dihydroisoxazolo(5,4-d)pyrimidine-4,6(3aH,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.