7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 851938-89-1) is a chemical compound with molecular formula C22H28ClN5O2 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chlorophenyl)methyl]-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione, 8-[(3,5-dimethylpiperidyl)methyl]-7-[(2-chlorophenyl)methyl]-1,3-dimethyl-1,3, 7-trihydropurine-2,6-dione
| Molecular Formula | C22H28ClN5O2 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 2.6133 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.19315 |
| Heavy Atoms | 30 |
| Complexity | 1198.6838 |
Chemical Identifiers
| CAS Number | 851938-89-1 |
|---|---|
| SMILES | CC1CC(CN(C1)CC2=NC3=C(N2CC4=CC=CC=C4Cl)C(=O)N(C(=O)N3C)C)C |
Product Overview
7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 851938-89-1), with molecular formula C22H28ClN5O2 and molecular weight 429.19 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.6133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 4 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 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 851938-89-1.
What is the molecular formula of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H28ClN5O2.
What is the molecular weight of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 429.19 g/mol.
Where can I buy 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chlorobenzyl)-8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.