CBKinase1_008659
TL;DR: CBKinase1_008659 (CAS 327097-58-5) is a chemical compound with molecular formula C22H22FN5O3 and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione
Also Known As: CBKinase1_008659, CBKinase1_021059, BRD-A73373808-001-01-2, 7-(4-fluorobenzyl)-8-((2-hydroxy-2-phenylethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-(4-fluorobenzyl)-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H22FN5O3 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 1.7666 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.17065 |
| Heavy Atoms | 31 |
| Complexity | 1340.322 |
Chemical Identifiers
| CAS Number | 327097-58-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC(C3=CC=CC=C3)O)CC4=CC=C(C=C4)F |
Product Overview
CBKinase1_008659 (CAS 327097-58-5), with molecular formula C22H22FN5O3 and molecular weight 423.17 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-8-[(2-hydroxy-2-phenylethyl)amino]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of CBKinase1_008659
Property Insights of CBKinase1_008659
The XLogP value of 1.7666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008659. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008659. Following Lipinski's Rule of Five, CBKinase1_008659 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_008659?
The CAS number of CBKinase1_008659 is 327097-58-5.
What is the molecular formula of CBKinase1_008659?
The molecular formula of CBKinase1_008659 is C22H22FN5O3.
What is the molecular weight of CBKinase1_008659?
The molecular weight of CBKinase1_008659 is 423.17 g/mol.
Where can I buy CBKinase1_008659?
You can request a quote for CBKinase1_008659 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008659?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008659 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.