RefChem:222123
TL;DR: RefChem:222123 (CAS 842964-24-3) is a chemical compound with molecular formula C20H24ClN5O3 and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-8-(2,6-dimethylmorpholin-4-yl)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(4-chlorobenzyl)-8-(2,6-dimethylmorpholin-4-yl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-[(4-Chlorophenyl)methyl]-8-(2,6-dimethyl-4-morpholinyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione, 1-(4-chlorobenzyl)-8-(2,6-dimethylmorpholino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-chlorophenyl)methyl]-8-(2,6-dimethylmorpholin-4-yl)-3,7-dimethylpurine-2,6-dione, 1-((4-Chlorophenyl)methyl)-8-(2,6-dimethyl-4-morpholinyl)-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
| Molecular Formula | C20H24ClN5O3 |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.15677 |
| Heavy Atoms | 29 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 842964-24-3 |
|---|---|
| SMILES | CC1CN(CC(O1)C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Cl |
| InChIKey | XWECWJOGMQERCL-UHFFFAOYSA-N |
Product Overview
RefChem:222123 (CAS 842964-24-3), with molecular formula C20H24ClN5O3 and molecular weight 417.16 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-8-(2,6-dimethylmorpholin-4-yl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:222123
Property Insights of RefChem:222123
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:222123. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:222123. Following Lipinski's Rule of Five, RefChem:222123 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 RefChem:222123?
The CAS number of RefChem:222123 is 842964-24-3.
What is the molecular formula of RefChem:222123?
The molecular formula of RefChem:222123 is C20H24ClN5O3.
What is the molecular weight of RefChem:222123?
The molecular weight of RefChem:222123 is 417.16 g/mol.
Where can I buy RefChem:222123?
You can request a quote for RefChem:222123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:222123?
Yes, KEHONG BIO provides custom synthesis services for RefChem:222123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.