AB00650560-06
TL;DR: AB00650560-06 (CAS 851941-39-4) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: AB00650560-06, F0634-0595, 8-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-7-(2-ethoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione, 7-(2-ethoxyethyl)-1,3-dimethyl-8-(2-1,2,3,4-tetrahydroisoquinolylmethyl)-1,3,7 -trihydropurine-2,6-dione
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 1.0285 |
| Topological Polar Surface Area | 74.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1157.5586 |
Chemical Identifiers
| CAS Number | 851941-39-4 |
|---|---|
| SMILES | CCOCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC4=CC=CC=C4C3 |
Product Overview
AB00650560-06 (CAS 851941-39-4), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB00650560-06
Property Insights of AB00650560-06
The XLogP value of 1.0285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00650560-06. The TPSA of 74.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00650560-06. Following Lipinski's Rule of Five, AB00650560-06 has 0 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 AB00650560-06?
The CAS number of AB00650560-06 is 851941-39-4.
What is the molecular formula of AB00650560-06?
The molecular formula of AB00650560-06 is C21H27N5O3.
What is the molecular weight of AB00650560-06?
The molecular weight of AB00650560-06 is 397.21 g/mol.
Where can I buy AB00650560-06?
You can request a quote for AB00650560-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00650560-06?
Yes, KEHONG BIO provides custom synthesis services for AB00650560-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.