CBKinase1_010060
TL;DR: CBKinase1_010060 (CAS 823834-94-2) is a chemical compound with molecular formula C16H16N4O4 and molecular weight 328.12 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-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: CBKinase1_010060, CBKinase1_022460, BRD-K49233274-001-01-2, methyl [7-hydroxy-5-methyl-2-(phenoxymethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate, methyl [5-methyl-7-oxo-2-(phenoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
| Molecular Formula | C16H16N4O4 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 1.02052 |
| Topological Polar Surface Area | 98.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.11716 |
| Heavy Atoms | 24 |
| Complexity | 930.39557 |
Chemical Identifiers
| CAS Number | 823834-94-2 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)COC3=CC=CC=C3)CC(=O)OC |
Product Overview
CBKinase1_010060 (CAS 823834-94-2), with molecular formula C16H16N4O4 and molecular weight 328.12 g/mol. IUPAC: methyl 2-[5-methyl-7-oxo-2-(phenoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of CBKinase1_010060
Property Insights of CBKinase1_010060
The XLogP value of 1.02052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_010060. The TPSA of 98.58 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_010060. Following Lipinski's Rule of Five, CBKinase1_010060 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
Frequently Asked Questions
What is the CAS number of CBKinase1_010060?
The CAS number of CBKinase1_010060 is 823834-94-2.
What is the molecular formula of CBKinase1_010060?
The molecular formula of CBKinase1_010060 is C16H16N4O4.
What is the molecular weight of CBKinase1_010060?
The molecular weight of CBKinase1_010060 is 328.12 g/mol.
Where can I buy CBKinase1_010060?
You can request a quote for CBKinase1_010060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_010060?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_010060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.