7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 333752-42-4) is a chemical compound with molecular formula C13H10FN5O4 and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-3-methyl-8-nitropurine-2,6-dione
Also Known As: BAS 02999135, 7-[(4-fluorophenyl)methyl]-3-methyl-8-nitropurine-2,6-dione, 7-(4-fluorobenzyl)-3-methyl-8-nitro-1H-purine-2,6(3H,7H)-dione, 7-(4-Fluoro-benzyl)-3-methyl-8-nitro-3,7-dihydro-purine-2,6-dione, 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C13H10FN5O4 |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.0717 |
| Heavy Atoms | 23 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 333752-42-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F |
| InChIKey | FBBGTPGPSBVJBS-UHFFFAOYSA-N |
Product Overview
7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione (CAS 333752-42-4), with molecular formula C13H10FN5O4 and molecular weight 319.07 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-3-methyl-8-nitropurine-2,6-dione.
Chemical Property Profile of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione has 1 hydrogen bond donor(s) and 6 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-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 333752-42-4.
What is the molecular formula of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is C13H10FN5O4.
What is the molecular weight of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione is 319.07 g/mol.
Where can I buy 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(4-fluorobenzyl)-3-methyl-8-nitro-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 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-fluorobenzyl)-3-methyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.