8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 302552-33-6) is a chemical compound with molecular formula C16H17ClN4O2 and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AE-641/12845499, 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-chloro-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione, 7-[(2,4-dimethylphenyl)methyl]-8-chloro-1,3-dimethyl-1,3,7-trihydropurine-2,6- dione, 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H17ClN4O2 |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 1.75224 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.104 |
| Heavy Atoms | 23 |
| Complexity | 1042.8856 |
Chemical Identifiers
| CAS Number | 302552-33-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C |
Product Overview
8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 302552-33-6), with molecular formula C16H17ClN4O2 and molecular weight 332.10 g/mol. IUPAC: 8-chloro-7-[(2,4-dimethylphenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.75224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione has 0 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 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 302552-33-6.
What is the molecular formula of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C16H17ClN4O2.
What is the molecular weight of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 332.10 g/mol.
Where can I buy 8-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-chloro-7-(2,4-dimethylbenzyl)-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-chloro-7-(2,4-dimethylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-7-(2,4-dimethylbenzyl)-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.