7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 354121-91-8) is a chemical compound with molecular formula C14H12Cl2N4O3 and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione
Also Known As: ChemDiv1_028311, MixCom6_000503, AN-988/14419021, 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione
| Molecular Formula | C14H12Cl2N4O3 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02866 |
| Heavy Atoms | 23 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 354121-91-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | SJBMGAWFKNPLNJ-UHFFFAOYSA-N |
Product Overview
7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 354121-91-8), with molecular formula C14H12Cl2N4O3 and molecular weight 354.03 g/mol. IUPAC: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione.
Chemical Property Profile of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 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-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 354121-91-8.
What is the molecular formula of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C14H12Cl2N4O3.
What is the molecular weight of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 354.03 g/mol.
Where can I buy 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(2,4-Dichlorobenzyl)-8-hydroxy-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 7-(2,4-Dichlorobenzyl)-8-hydroxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,4-Dichlorobenzyl)-8-hydroxy-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.