7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 878713-01-0) is a chemical compound with molecular formula C13H10ClFN4O2 and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: ASN 12401394, VU0508264-1, F3064-0216, 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione
| Molecular Formula | C13H10ClFN4O2 |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 1.2641 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.04764 |
| Heavy Atoms | 21 |
| Complexity | 936.6902 |
Chemical Identifiers
| CAS Number | 878713-01-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=C(C=CC=C3Cl)F |
Product Overview
7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 878713-01-0), with molecular formula C13H10ClFN4O2 and molecular weight 308.05 g/mol. IUPAC: 7-[(2-chloro-6-fluorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-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-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 878713-01-0.
What is the molecular formula of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C13H10ClFN4O2.
What is the molecular weight of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 308.05 g/mol.
Where can I buy 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 7-(2-chloro-6-fluorobenzyl)-3-methyl-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 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(2-chloro-6-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.