CBKinase1_005601
TL;DR: CBKinase1_005601 (CAS 700853-89-0) is a chemical compound with molecular formula C20H18ClFN6O2 and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione
Also Known As: CBKinase1_005601, CBKinase1_018001, BRD-K09903244-001-01-5, 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-((pyridin-3-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione, 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-[(3-pyridinylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C20H18ClFN6O2 |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 2.2816 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.1164 |
| Heavy Atoms | 30 |
| Complexity | 1339.7174 |
Chemical Identifiers
| CAS Number | 700853-89-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=C(C=CC=C4Cl)F |
Product Overview
CBKinase1_005601 (CAS 700853-89-0), with molecular formula C20H18ClFN6O2 and molecular weight 428.12 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione.
Chemical Property Profile of CBKinase1_005601
Property Insights of CBKinase1_005601
The XLogP value of 2.2816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_005601. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_005601. Following Lipinski's Rule of Five, CBKinase1_005601 has 1 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_005601?
The CAS number of CBKinase1_005601 is 700853-89-0.
What is the molecular formula of CBKinase1_005601?
The molecular formula of CBKinase1_005601 is C20H18ClFN6O2.
What is the molecular weight of CBKinase1_005601?
The molecular weight of CBKinase1_005601 is 428.12 g/mol.
Where can I buy CBKinase1_005601?
You can request a quote for CBKinase1_005601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005601?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.