![1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851940-64-2.png)
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851940-64-2) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-phenacylpurine-2,6-dione
Also Known As: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[(4-methyl-1-piperidyl)methyl]-7-phenacyl-purine-2,6-dione, 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-phenacylpurine-2,6-dione, 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(2-oxo-2-phenylethyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H27N5O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 1.5485 |
| Topological Polar Surface Area | 82.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.2114 |
| Heavy Atoms | 30 |
| Complexity | 1197.4666 |
Chemical Identifiers
| CAS Number | 851940-64-2 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=NC3=C(N2CC(=O)C4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851940-64-2), with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol. IUPAC: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-phenacylpurine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 1.5485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. The TPSA of 82.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 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 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851940-64-2.
What is the molecular formula of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C22H27N5O3.
What is the molecular weight of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 409.21 g/mol.
Where can I buy 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.