![7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione structure](/static/products/3337/333755-63-8.webp)
7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione
TL;DR: 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione (CAS 333755-63-8) is a chemical compound with molecular formula C16H16FN5O2 and molecular weight 329.13 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-(prop-2-enylamino)purine-2,6-dione
Also Known As: BAS 02999220, 7-[(4-fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione, 8-Allylamino-7-(4-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione, F0887-0157, 8-(allylamino)-7-(4-fluorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H16FN5O2 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 1.2086 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.1288 |
| Heavy Atoms | 24 |
| Complexity | 1013.8543 |
Chemical Identifiers
| CAS Number | 333755-63-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC3=CC=C(C=C3)F |
Product Overview
7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione (CAS 333755-63-8), with molecular formula C16H16FN5O2 and molecular weight 329.13 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione.
Chemical Property Profile of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione
Property Insights of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione
The XLogP value of 1.2086 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione. Following Lipinski's Rule of Five, 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione has 2 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 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione?
The CAS number of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione is 333755-63-8.
What is the molecular formula of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione?
The molecular formula of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione is C16H16FN5O2.
What is the molecular weight of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione?
The molecular weight of 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione is 329.13 g/mol.
Where can I buy 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione?
You can request a quote for 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)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-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-[(4-Fluorophenyl)methyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.