1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine
TL;DR: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine (CAS 369607-46-5) is a chemical compound with molecular formula C22H18Cl2N4O5 and molecular weight 488.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine, 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-(Benzo[1,3]dioxol-5-ylmethoxy)-1-(3,4-dichloro-benzyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione, 8-(1,3-benzodioxol-5-ylmethoxy)-1-(3,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione
| Molecular Formula | C22H18Cl2N4O5 |
|---|---|
| Molecular Weight | 488.07 g/mol |
| LogP | 3.0965 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.06543 |
| Heavy Atoms | 33 |
| Complexity | 1522.2229 |
Chemical Identifiers
| CAS Number | 369607-46-5 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC(=C(C=C5)Cl)Cl)C |
Product Overview
1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine (CAS 369607-46-5), with molecular formula C22H18Cl2N4O5 and molecular weight 488.07 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(3,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine
Property Insights of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine
The XLogP value of 3.0965 indicates that 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine. Following Lipinski's Rule of Five, 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine has 0 hydrogen bond donor(s) and 6 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 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine?
The CAS number of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine is 369607-46-5.
What is the molecular formula of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine?
The molecular formula of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine is C22H18Cl2N4O5.
What is the molecular weight of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine?
The molecular weight of 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine is 488.07 g/mol.
Where can I buy 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine?
You can request a quote for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-piperonyloxy-xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.