![7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione structure](/static/products/851/851938-65-3.png)
7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
TL;DR: 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851938-65-3) is a chemical compound with molecular formula C32H32ClFN6O2 and molecular weight 586.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-{[4-(diphenylmethyl)piperazinyl]methyl}-7-[(6-chloro-2-fluorophenyl)methyl]- 1,3-dimethyl-1,3,7-trihydropurine-2,6-dione, 8-{[4-(Diphenylmethyl)piperazinyl]methyl}-7-[(6-chloro-2-fluorophenyl)methyl]-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C32H32ClFN6O2 |
|---|---|
| Molecular Weight | 586.23 g/mol |
| LogP | 4.1817 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 586.22595 |
| Heavy Atoms | 42 |
| Complexity | 1783.2153 |
Chemical Identifiers
| CAS Number | 851938-65-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC6=C(C=CC=C6Cl)F |
Product Overview
7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione (CAS 851938-65-3), with molecular formula C32H32ClFN6O2 and molecular weight 586.23 g/mol. IUPAC: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Property Insights of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
The XLogP value of 4.1817 indicates that 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione has 0 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 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The CAS number of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 851938-65-3.
What is the molecular formula of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular formula of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is C32H32ClFN6O2.
What is the molecular weight of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
The molecular weight of 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione is 586.23 g/mol.
Where can I buy 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
You can request a quote for 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-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 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-chloro-6-fluorophenyl)methyl]-8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.