7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 317843-64-4) is a chemical compound with molecular formula C17H16Cl2N4O3 and molecular weight 394.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-enoxypurine-2,6-dione
Also Known As: 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione, 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-enoxypurine-2,6-dione, 8-(allyloxy)-7-(2,6-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H16Cl2N4O3 |
|---|---|
| Molecular Weight | 394.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.05994 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 317843-64-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=C(C=CC=C3Cl)Cl |
| InChIKey | YJQWJLCLDJHWQG-UHFFFAOYSA-N |
Product Overview
7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 317843-64-4), with molecular formula C17H16Cl2N4O3 and molecular weight 394.06 g/mol. IUPAC: 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-8-prop-2-enoxypurine-2,6-dione.
Chemical Property Profile of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 3.4 indicates that 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione has 0 hydrogen bond donor(s) and 4 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 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is 317843-64-4.
What is the molecular formula of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is C17H16Cl2N4O3.
What is the molecular weight of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione is 394.06 g/mol.
Where can I buy 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-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 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.