RefChem:1074308
TL;DR: RefChem:1074308 (CAS 110622-81-6) is a chemical compound with molecular formula C22H22ClN5O2 and molecular weight 423.1462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-[[(3-chlorophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-26-14-00006 (Beilstein Handbook Reference), 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(((3-chlorophenyl)phenylmethyl)amino)ethyl)-1,3-dimethyl-, (+-)-, 7-(2-((3-Chlorophenyl)(phenyl)methylamino)ethyl)-1,3-dimethy, 1h-purine-2,6-dione, 7-[2-[[(3-chlorophenyl)phenylmethyl]amino]ethyl]-3,7-dihydro-1,3-dimethyl-
Technical Specifications
| Molecular Formula | C22H22ClN5O2 |
| Molecular Weight | 423.1462 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.1462 Da |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC(=CC=C4)Cl |
| InChIKey | QQBPMNIYGSXMML-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1074308
Property Insights of RefChem:1074308
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1074308. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1074308. Following Lipinski's Rule of Five, RefChem:1074308 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1074308?
The CAS number of RefChem:1074308 is 110622-81-6.
What is the molecular formula of RefChem:1074308?
The molecular formula of RefChem:1074308 is C22H22ClN5O2.
What is the molecular weight of RefChem:1074308?
The molecular weight of RefChem:1074308 is 423.1462 g/mol.
Where can I buy RefChem:1074308?
You can request a quote for RefChem:1074308 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1074308?
Yes, CoreyChem provides custom synthesis services for RefChem:1074308 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.