CBKinase1_008585
TL;DR: CBKinase1_008585 (CAS 304879-75-2) is a chemical compound with molecular formula C17H20FN5O3 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: CBKinase1_008585, CBKinase1_020985, BRD-A03249316-001-01-4, 1-(2-fluorobenzyl)-8-((2-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(2-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C17H20FN5O3 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 0.4138 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.15503 |
| Heavy Atoms | 26 |
| Complexity | 1080.4175 |
Chemical Identifiers
| CAS Number | 304879-75-2 |
|---|---|
| SMILES | CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3F)O |
Product Overview
CBKinase1_008585 (CAS 304879-75-2), with molecular formula C17H20FN5O3 and molecular weight 361.16 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-8-(2-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of CBKinase1_008585
Property Insights of CBKinase1_008585
The XLogP value of 0.4138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_008585. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008585. Following Lipinski's Rule of Five, CBKinase1_008585 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_008585?
The CAS number of CBKinase1_008585 is 304879-75-2.
What is the molecular formula of CBKinase1_008585?
The molecular formula of CBKinase1_008585 is C17H20FN5O3.
What is the molecular weight of CBKinase1_008585?
The molecular weight of CBKinase1_008585 is 361.16 g/mol.
Where can I buy CBKinase1_008585?
You can request a quote for CBKinase1_008585 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008585?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008585 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.