7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
TL;DR: 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS 313376-72-6) 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-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione
Also Known As: 7-(2,6-dichlorobenzyl)-1,3-dimethyl-1H-purine-2,6,8(3H,7H,9H)-trione, 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione, 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
| Molecular Formula | C14H12Cl2N4O3 |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 1.0821 |
| Topological Polar Surface Area | 81.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02866 |
| Heavy Atoms | 23 |
| Complexity | 1083.8737 |
Chemical Identifiers
| CAS Number | 313376-72-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CC3=C(C=CC=C3Cl)Cl |
Product Overview
7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione (CAS 313376-72-6), with molecular formula C14H12Cl2N4O3 and molecular weight 354.03 g/mol. IUPAC: 7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-9H-purine-2,6,8-trione.
Chemical Property Profile of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
Property Insights of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
The XLogP value of 1.0821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione. The TPSA of 81.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione. Following Lipinski's Rule of Five, 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 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-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione?
The CAS number of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione is 313376-72-6.
What is the molecular formula of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione?
The molecular formula of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione is C14H12Cl2N4O3.
What is the molecular weight of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione?
The molecular weight of 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione is 354.03 g/mol.
Where can I buy 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione?
You can request a quote for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 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-7,9-dihydro-1H-purine-2,6,8(3H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2,6-dichlorobenzyl)-1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.