Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-
TL;DR: Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- (CAS 165611-01-8) is a chemical compound with molecular formula C13H9ClN4O2 and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Also Known As: Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-, 3-Carbamido-5-chloromethyl-7-phenylisoxazolo(4,5-d)pyrimidine, 5-(Chloromethyl)-7-phenylisoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide, 5-(Chloromethyl)-7-phenylisoxazolo[4,5-d]pyrimidine-3-carboxamide
| Molecular Formula | C13H9ClN4O2 |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 2.1225 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0414 |
| Heavy Atoms | 20 |
| Complexity | 785.6704 |
Chemical Identifiers
| CAS Number | 165611-01-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NC3=C2ON=C3C(=O)N)CCl |
Product Overview
Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- (CAS 165611-01-8), with molecular formula C13H9ClN4O2 and molecular weight 288.04 g/mol. IUPAC: 5-(chloromethyl)-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide.
Chemical Property Profile of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-
Property Insights of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-
The XLogP value of 2.1225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-. Following Lipinski's Rule of Five, Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- 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 Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-?
The CAS number of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- is 165611-01-8.
What is the molecular formula of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-?
The molecular formula of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- is C13H9ClN4O2.
What is the molecular weight of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-?
The molecular weight of Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- is 288.04 g/mol.
Where can I buy Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-?
You can request a quote for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 5-(chloromethyl)-7-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.