![8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione structure](/static/products/3770/377052-10-3.webp)
8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
TL;DR: 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione (CAS 377052-10-3) is a chemical compound with molecular formula C18H21FN4O2S and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Also Known As: BAS 03301937, UPCMLD0ENAT5837485:001, AB01256996-02, 8-((4-fluorobenzyl)thio)-7-isopentyl-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
| Molecular Formula | C18H21FN4O2S |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 2.9008 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.13693 |
| Heavy Atoms | 26 |
| Complexity | 1034.2562 |
Chemical Identifiers
| CAS Number | 377052-10-3 |
|---|---|
| SMILES | CC(C)CCN1C2=C(N=C1SCC3=CC=C(C=C3)F)N(C(=O)NC2=O)C |
Product Overview
8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione (CAS 377052-10-3), with molecular formula C18H21FN4O2S and molecular weight 376.14 g/mol. IUPAC: 8-[(4-fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
Property Insights of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione
The XLogP value of 2.9008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione. Following Lipinski's Rule of Five, 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione has 1 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 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
The CAS number of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione is 377052-10-3.
What is the molecular formula of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular formula of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione is C18H21FN4O2S.
What is the molecular weight of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
The molecular weight of 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione is 376.14 g/mol.
Where can I buy 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
You can request a quote for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)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 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[(4-Fluorophenyl)methylsulfanyl]-3-methyl-7-(3-methylbutyl)purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.