CBKinase1_012229
TL;DR: CBKinase1_012229 (CAS 832687-67-9) is a chemical compound with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-5-methoxyphenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: CBKinase1_012229, CBKinase1_024629, BRD-K87360578-001-01-9, 7-(2-chloro-5-methoxybenzyl)-8-[(2-furylmethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C20H20ClN5O4 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 2.3491 |
| Topological Polar Surface Area | 96.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1204 |
| Heavy Atoms | 30 |
| Complexity | 1334.2233 |
Chemical Identifiers
| CAS Number | 832687-67-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CO3)CC4=C(C=CC(=C4)OC)Cl |
Product Overview
CBKinase1_012229 (CAS 832687-67-9), with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol. IUPAC: 7-[(2-chloro-5-methoxyphenyl)methyl]-8-(furan-2-ylmethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of CBKinase1_012229
Property Insights of CBKinase1_012229
The XLogP value of 2.3491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_012229. The TPSA of 96.22 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_012229. Following Lipinski's Rule of Five, CBKinase1_012229 has 1 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_012229?
The CAS number of CBKinase1_012229 is 832687-67-9.
What is the molecular formula of CBKinase1_012229?
The molecular formula of CBKinase1_012229 is C20H20ClN5O4.
What is the molecular weight of CBKinase1_012229?
The molecular weight of CBKinase1_012229 is 429.12 g/mol.
Where can I buy CBKinase1_012229?
You can request a quote for CBKinase1_012229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_012229?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_012229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.