Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-
TL;DR: Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- (CAS 346597-06-6) is a chemical compound with molecular formula C14H12ClFN4O2 and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 08841527, Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-, 8-chloro-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-Chloro-7-(2-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C14H12ClFN4O2 |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.0633 |
| Heavy Atoms | 22 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 346597-06-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=CC=C3F |
| InChIKey | MJPHWHYVQFDTNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- (CAS 346597-06-6), with molecular formula C14H12ClFN4O2 and molecular weight 322.06 g/mol. IUPAC: 8-chloro-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-
Property Insights of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-. With a topological polar surface area (TPSA) of 58.4 Ų, Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- has 0 hydrogen bond donor(s) and 4 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 Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-?
The CAS number of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- is 346597-06-6.
What is the molecular formula of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-?
The molecular formula of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- is C14H12ClFN4O2.
What is the molecular weight of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-?
The molecular weight of Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- is 322.06 g/mol.
Where can I buy Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-?
You can request a quote for Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Purine-2,6(1H,3H)-dione, 8-chloro-7-(2-fluorobenzyl)-1,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.