CBKinase1_012152
TL;DR: CBKinase1_012152 (CAS 536719-02-5) is a chemical compound with molecular formula C16H19ClN6O2 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: CBKinase1_012152, CBKinase1_024552, AO-343/41780840, 8-((2-aminoethyl)amino)-7-(4-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, BRD-K45258668-001-01-7
| Molecular Formula | C16H19ClN6O2 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 0.506 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.1258 |
| Heavy Atoms | 25 |
| Complexity | 1031.9352 |
Chemical Identifiers
| CAS Number | 536719-02-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=C(C=C3)Cl |
Product Overview
CBKinase1_012152 (CAS 536719-02-5), with molecular formula C16H19ClN6O2 and molecular weight 362.13 g/mol. IUPAC: 8-(2-aminoethylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of CBKinase1_012152
Property Insights of CBKinase1_012152
The XLogP value of 0.506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012152. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012152. Following Lipinski's Rule of Five, CBKinase1_012152 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
Frequently Asked Questions
What is the CAS number of CBKinase1_012152?
The CAS number of CBKinase1_012152 is 536719-02-5.
What is the molecular formula of CBKinase1_012152?
The molecular formula of CBKinase1_012152 is C16H19ClN6O2.
What is the molecular weight of CBKinase1_012152?
The molecular weight of CBKinase1_012152 is 362.13 g/mol.
Where can I buy CBKinase1_012152?
You can request a quote for CBKinase1_012152 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012152?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012152 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.