CBKinase1_009858
TL;DR: CBKinase1_009858 (CAS 827006-69-9) is a chemical compound with molecular formula C16H15ClFN5O3 and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Also Known As: CBKinase1_009858, CBKinase1_022258, BRD-K14245692-001-01-1, methyl {2-[(2-chloro-6-fluorobenzyl)amino]-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate, methyl {2-[(2-chloro-6-fluorobenzyl)amino]-7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
| Molecular Formula | C16H15ClFN5O3 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 1.84612 |
| Topological Polar Surface Area | 101.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.08475 |
| Heavy Atoms | 26 |
| Complexity | 1026.0266 |
Chemical Identifiers
| CAS Number | 827006-69-9 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)NCC3=C(C=CC=C3Cl)F)CC(=O)OC |
Product Overview
CBKinase1_009858 (CAS 827006-69-9), with molecular formula C16H15ClFN5O3 and molecular weight 379.08 g/mol. IUPAC: methyl 2-[2-[(2-chloro-6-fluorophenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate.
Chemical Property Profile of CBKinase1_009858
Property Insights of CBKinase1_009858
The XLogP value of 1.84612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_009858. The TPSA of 101.38 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009858. Following Lipinski's Rule of Five, CBKinase1_009858 has 2 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_009858?
The CAS number of CBKinase1_009858 is 827006-69-9.
What is the molecular formula of CBKinase1_009858?
The molecular formula of CBKinase1_009858 is C16H15ClFN5O3.
What is the molecular weight of CBKinase1_009858?
The molecular weight of CBKinase1_009858 is 379.08 g/mol.
Where can I buy CBKinase1_009858?
You can request a quote for CBKinase1_009858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009858?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.