CBKinase1_010422
TL;DR: CBKinase1_010422 (CAS 824980-02-1) is a chemical compound with molecular formula C15H14N4O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(5-methyl-7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Also Known As: CBKinase1_010422, CBKinase1_022822, BRD-K81720522-001-01-7, methyl (5-methyl-7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate, methyl (7-hydroxy-5-methyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
| Molecular Formula | C15H14N4O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 1.10852 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.1066 |
| Heavy Atoms | 22 |
| Complexity | 896.28674 |
Chemical Identifiers
| CAS Number | 824980-02-1 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)C3=CC=CC=C3)CC(=O)OC |
Product Overview
CBKinase1_010422 (CAS 824980-02-1), with molecular formula C15H14N4O3 and molecular weight 298.11 g/mol. IUPAC: methyl 2-(5-methyl-7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate.
Chemical Property Profile of CBKinase1_010422
Property Insights of CBKinase1_010422
The XLogP value of 1.10852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010422. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010422. Following Lipinski's Rule of Five, CBKinase1_010422 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 CBKinase1_010422?
The CAS number of CBKinase1_010422 is 824980-02-1.
What is the molecular formula of CBKinase1_010422?
The molecular formula of CBKinase1_010422 is C15H14N4O3.
What is the molecular weight of CBKinase1_010422?
The molecular weight of CBKinase1_010422 is 298.11 g/mol.
Where can I buy CBKinase1_010422?
You can request a quote for CBKinase1_010422 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010422?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010422 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.