8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 877783-43-2) is a chemical compound with molecular formula C28H33N5O4 and molecular weight 503.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(4-benzyl-1-piperidyl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-6-hydroxy-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-2H-purin-2-one, 8-(4-benzylpiperidin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione
| Molecular Formula | C28H33N5O4 |
|---|---|
| Molecular Weight | 503.25 g/mol |
| LogP | 2.63072 |
| Topological Polar Surface Area | 105.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 503.25327 |
| Heavy Atoms | 37 |
| Complexity | 1482.2277 |
Chemical Identifiers
| CAS Number | 877783-43-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)NC3=O)C)O |
Product Overview
8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 877783-43-2), with molecular formula C28H33N5O4 and molecular weight 503.25 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.63072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 105.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 877783-43-2.
What is the molecular formula of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C28H33N5O4.
What is the molecular weight of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 503.25 g/mol.
Where can I buy 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-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)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzylpiperidin-1-yl)-7-(2-hydroxy-3-(m-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.