8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione (CAS 872628-01-8) is a chemical compound with molecular formula C21H34N6O3 and molecular weight 418.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
Also Known As: 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione, 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione, 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-[2-(morpholin-4-yl)ethyl]-3,7-dihydro-1H-purine-2,6-dione, 8-[(3,5-dimethylpiperidyl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-1,3,7 -trihydropurine-2,6-dione
| Molecular Formula | C21H34N6O3 |
|---|---|
| Molecular Weight | 418.27 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.26923 |
| Heavy Atoms | 30 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 872628-01-8 |
|---|---|
| SMILES | CC1CC(CN(C1)CC2=NC3=C(N2CCN4CCOCC4)C(=O)N(C(=O)N3C)C)C |
| InChIKey | ZNRWELKYFJBPSJ-UHFFFAOYSA-N |
Product Overview
8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione (CAS 872628-01-8), with molecular formula C21H34N6O3 and molecular weight 418.27 g/mol. IUPAC: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione.
Chemical Property Profile of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 6 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 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione is 872628-01-8.
What is the molecular formula of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione is C21H34N6O3.
What is the molecular weight of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione is 418.27 g/mol.
Where can I buy 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-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 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3,5-dimethylpiperidin-1-yl)methyl)-1,3-dimethyl-7-(2-morpholinoethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.