1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 851939-80-5) is a chemical compound with molecular formula C25H29N5O2 and molecular weight 431.23 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-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-[(4-methylpiperidyl)methyl]-7-(naphthylmethyl)-1,3,7-trihydropu rine-2,6-dione
| Molecular Formula | C25H29N5O2 |
|---|---|
| Molecular Weight | 431.23 g/mol |
| LogP | 2.8671 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.23212 |
| Heavy Atoms | 32 |
| Complexity | 1415.0533 |
Chemical Identifiers
| CAS Number | 851939-80-5 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)N(C(=O)N3C)C |
Product Overview
1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 851939-80-5), with molecular formula C25H29N5O2 and molecular weight 431.23 g/mol. IUPAC: 1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.8671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-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 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 851939-80-5.
What is the molecular formula of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is C25H29N5O2.
What is the molecular weight of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 431.23 g/mol.
Where can I buy 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-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 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-8-((4-methylpiperidin-1-yl)methyl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.