8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 359709-53-8) is a chemical compound with molecular formula C14H11Cl2FN4O2 and molecular weight 356.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 04301339, F0850-2744, 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-Chloro-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C14H11Cl2FN4O2 |
|---|---|
| Molecular Weight | 356.02 g/mol |
| LogP | 1.9279 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.02432 |
| Heavy Atoms | 23 |
| Complexity | 1031.3326 |
Chemical Identifiers
| CAS Number | 359709-53-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=C(C=CC=C3Cl)F |
Product Overview
8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 359709-53-8), with molecular formula C14H11Cl2FN4O2 and molecular weight 356.02 g/mol. IUPAC: 8-chloro-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.9279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 359709-53-8.
What is the molecular formula of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C14H11Cl2FN4O2.
What is the molecular weight of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 356.02 g/mol.
Where can I buy 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-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-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.