8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 877778-62-6) is a chemical compound with molecular formula C29H29N5O2 and molecular weight 479.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
Also Known As: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-benzyl-1-piperidyl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-6-hydroxy-3-methyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C29H29N5O2 |
|---|---|
| Molecular Weight | 479.23 g/mol |
| LogP | 4.0839 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.23212 |
| Heavy Atoms | 36 |
| Complexity | 1651.5466 |
Chemical Identifiers
| CAS Number | 877778-62-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC5=CC=CC6=CC=CC=C65 |
Product Overview
8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione (CAS 877778-62-6), with molecular formula C29H29N5O2 and molecular weight 479.23 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 4.0839 indicates that 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione 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
Frequently Asked Questions
What is the CAS number of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 877778-62-6.
What is the molecular formula of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is C29H29N5O2.
What is the molecular weight of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione is 479.23 g/mol.
Where can I buy 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-benzylpiperidin-1-yl)-3-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 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperidin-1-yl)-3-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.