![8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione structure](/static/products/369/369603-08-7.png)
8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 369603-08-7) is a chemical compound with molecular formula C22H19ClN4O5 and molecular weight 454.10 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-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-(benzo[1,3]dioxol-5-ylmethoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione
| Molecular Formula | C22H19ClN4O5 |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 2.4431 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1044 |
| Heavy Atoms | 32 |
| Complexity | 1452.6858 |
Chemical Identifiers
| CAS Number | 369603-08-7 |
|---|---|
| SMILES | CN1C2=C(N=C1OCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)Cl)C |
Product Overview
8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 369603-08-7), with molecular formula C22H19ClN4O5 and molecular weight 454.10 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethoxy)-1-[(4-chlorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 2.4431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione 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 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 369603-08-7.
What is the molecular formula of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is C22H19ClN4O5.
What is the molecular weight of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione is 454.10 g/mol.
Where can I buy 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(benzo[d][1,3]dioxol-5-ylmethoxy)-1-(4-chlorobenzyl)-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-ylmethoxy)-1-(4-chlorobenzyl)-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-ylmethoxy)-1-(4-chlorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.