![8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione structure](/static/products/304/304880-66-8.png)
8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 304880-66-8) is a chemical compound with molecular formula C22H20ClN5O4 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-7-(2-chlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-{[(2H-1,3-BENZODIOXOL-5-YL)METHYL]AMINO}-7-[(2-CHLOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H20ClN5O4 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.1204 |
| Heavy Atoms | 32 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 304880-66-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl |
| InChIKey | FMZCVPXTMSKFOP-UHFFFAOYSA-N |
Product Overview
8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 304880-66-8), with molecular formula C22H20ClN5O4 and molecular weight 453.12 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(2-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.4 indicates that 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-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-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 304880-66-8.
What is the molecular formula of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C22H20ClN5O4.
What is the molecular weight of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 453.12 g/mol.
Where can I buy 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-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 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.