![8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/370/370075-35-7.png)
8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 370075-35-7) is a chemical compound with molecular formula C22H19Cl2N5O4 and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-(benzo[1,3]dioxol-5-ylmethylamino)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(2,4-dichlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C22H19Cl2N5O4 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 3.1296 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.08142 |
| Heavy Atoms | 33 |
| Complexity | 1522.2229 |
Chemical Identifiers
| CAS Number | 370075-35-7 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=C(C=C(C=C5)Cl)Cl)C |
Product Overview
8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 370075-35-7), with molecular formula C22H19Cl2N5O4 and molecular weight 487.08 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2,4-dichlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.1296 indicates that 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione has 1 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 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 370075-35-7.
What is the molecular formula of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H19Cl2N5O4.
What is the molecular weight of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 487.08 g/mol.
Where can I buy 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-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-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2,4-dichlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.