7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione
TL;DR: 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione (CAS 374612-08-5) is a chemical compound with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
Also Known As: BAS 01547192, UPCMLD0ENAT5927088:001, 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione, J3.133.090D, VU0287674-3
| Molecular Formula | C18H21ClN6O2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 0.545 |
| Topological Polar Surface Area | 77.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.14145 |
| Heavy Atoms | 27 |
| Complexity | 1123.3079 |
Chemical Identifiers
| CAS Number | 374612-08-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=CC=CC=C4Cl |
Product Overview
7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione (CAS 374612-08-5), with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol. IUPAC: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione
Property Insights of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione
The XLogP value of 0.545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione. The TPSA of 77.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione. Following Lipinski's Rule of Five, 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione has 1 hydrogen bond donor(s) and 5 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 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione?
The CAS number of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione is 374612-08-5.
What is the molecular formula of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione?
The molecular formula of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione is C18H21ClN6O2.
What is the molecular weight of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione?
The molecular weight of 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione is 388.14 g/mol.
Where can I buy 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione?
You can request a quote for 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-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-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-Chlorobenzyl)-1,3-Dimethyl-8-Piperazin-1-Yl-3,7-Dihydro-1h-Purine-2,6-Dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.