Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-
TL;DR: Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- (CAS 165611-02-9) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(methylsulfanylmethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Also Known As: Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-, 3-Carbamido-5-(methylthiomethyl)-7-phenylisoxazolo(4,5-d)pyrimidine, 5-((Methylthio)methyl)-7-phenylisoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(methylsulfanylmethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide, 5-[(METHYLSULFANYL)METHYL]-7-PHENYL-[1,2]OXAZOLO[4,5-D]PYRIMIDINE-3-CARBOXAMIDE
Technical Specifications
| Molecular Formula | C14H12N4O2S |
| Molecular Weight | 300.06808 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CSCC1=NC2=C(C(=N1)C3=CC=CC=C3)ON=C2C(=O)N |
| InChIKey | AFUHCNSFLIYTIS-UHFFFAOYSA-N |
Chemical Property Profile of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-
Property Insights of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-. Following Lipinski's Rule of Five, Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-?
The CAS number of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- is 165611-02-9.
What is the molecular formula of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-?
The molecular formula of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- is C14H12N4O2S.
What is the molecular weight of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-?
The molecular weight of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- is 300.06808 g/mol.
Where can I buy Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-?
You can request a quote for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl-?
Yes, CoreyChem provides custom synthesis services for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-((methylthio)methyl)-7-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.