8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 714253-37-9) is a chemical compound with molecular formula C31H32N6O2 and molecular weight 520.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Also Known As: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione, AB00675533-01, F1614-0262, 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione, 8-[4-(diphenylmethyl)piperazin-1-yl]-3-methyl-7-[(3-methylphenyl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C31H32N6O2 |
|---|---|
| Molecular Weight | 520.26 g/mol |
| LogP | 3.69162 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.25867 |
| Heavy Atoms | 39 |
| Complexity | 1674.117 |
Chemical Identifiers
| CAS Number | 714253-37-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6)N(C(=O)NC3=O)C |
Product Overview
8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione (CAS 714253-37-9), with molecular formula C31H32N6O2 and molecular weight 520.26 g/mol. IUPAC: 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione.
Chemical Property Profile of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.69162 indicates that 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 714253-37-9.
What is the molecular formula of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is C31H32N6O2.
What is the molecular weight of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione is 520.26 g/mol.
Where can I buy 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-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-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-benzhydrylpiperazin-1-yl)-3-methyl-7-(3-methylbenzyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.