![8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione structure](/static/products/840/840485-98-5.png)
8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
TL;DR: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione (CAS 840485-98-5) is a chemical compound with molecular formula C22H29ClN6O2 and molecular weight 444.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione, 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(4-(3-chlorophenyl)piperazin-1-yl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[4-(3-chlorophenyl)piperazinyl]-1,3-dimethyl-7-(3-methylbutyl)-1,3,7-trihydr opurine-2,6-dione
| Molecular Formula | C22H29ClN6O2 |
|---|---|
| Molecular Weight | 444.20 g/mol |
| LogP | 2.4598 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.20404 |
| Heavy Atoms | 31 |
| Complexity | 1217.1898 |
Chemical Identifiers
| CAS Number | 840485-98-5 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl)N(C(=O)N(C2=O)C)C |
Product Overview
8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione (CAS 840485-98-5), with molecular formula C22H29ClN6O2 and molecular weight 444.20 g/mol. IUPAC: 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
Property Insights of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
The XLogP value of 2.4598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione has 0 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 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
The CAS number of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione is 840485-98-5.
What is the molecular formula of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular formula of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione is C22H29ClN6O2.
What is the molecular weight of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular weight of 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione is 444.20 g/mol.
Where can I buy 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
You can request a quote for 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)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 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.