RefChem:545025
TL;DR: RefChem:545025 (CAS 476482-11-8) is a chemical compound with molecular formula C19H25ClN6O2 and molecular weight 404.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[2-(diethylamino)ethylamino]-3-methylpurine-2,6-dione
Also Known As: BAS 05968900, UPCMLD0ENAT5835560:001, 7-(2-chlorobenzyl)-8-((2-(diethylamino)ethyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-(2-chlorobenzyl)-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C19H25ClN6O2 |
|---|---|
| Molecular Weight | 404.17 g/mol |
| LogP | 1.8787 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.17276 |
| Heavy Atoms | 28 |
| Complexity | 1080.1979 |
Chemical Identifiers
| CAS Number | 476482-11-8 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
RefChem:545025 (CAS 476482-11-8), with molecular formula C19H25ClN6O2 and molecular weight 404.17 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[2-(diethylamino)ethylamino]-3-methylpurine-2,6-dione.
Chemical Property Profile of RefChem:545025
Property Insights of RefChem:545025
The XLogP value of 1.8787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:545025. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:545025. Following Lipinski's Rule of Five, RefChem:545025 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 RefChem:545025?
The CAS number of RefChem:545025 is 476482-11-8.
What is the molecular formula of RefChem:545025?
The molecular formula of RefChem:545025 is C19H25ClN6O2.
What is the molecular weight of RefChem:545025?
The molecular weight of RefChem:545025 is 404.17 g/mol.
Where can I buy RefChem:545025?
You can request a quote for RefChem:545025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:545025?
Yes, KEHONG BIO provides custom synthesis services for RefChem:545025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.