4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide
TL;DR: 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide (CAS 165611-08-5) is a chemical compound with molecular formula C19H17ClN4O2 and molecular weight 368.104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Also Known As: 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide, Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-5-(chloromethyl)-6,7-diphenyl-, 5-(chloromethyl)-6,7-diphenyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide, 5-(chloromethyl)-6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide, 5-(Chloromethyl)-6,7-diphenyl-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-d]pyrimidine-3-carboximidic acid
Technical Specifications
| Molecular Formula | C19H17ClN4O2 |
| Molecular Weight | 368.104 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.104 Da |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
| SMILES | C1=CC=C(C=C1)C2C3=C(C(=NO3)C(=O)N)NC(N2C4=CC=CC=C4)CCl |
| InChIKey | PRTNGIUCSPNITQ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide
Property Insights of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide
The XLogP value of 3.4 indicates that 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
The CAS number of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is 165611-08-5.
What is the molecular formula of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
The molecular formula of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is C19H17ClN4O2.
What is the molecular weight of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
The molecular weight of 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide is 368.104 g/mol.
Where can I buy 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
You can request a quote for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide?
Yes, CoreyChem provides custom synthesis services for 4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.