(E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 378206-63-4) is a chemical compound with molecular formula C17H16ClFN4O2S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione
Also Known As: (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione, 7-[(2E)-but-2-en-1-yl]-8-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 7-[(E)-but-2-enyl]-8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione, 7-((2E)but-2-enyl)-8-[(2-chloro-6-fluorophenyl)methylthio]-3-methyl-1,3,7-trih ydropurine-2,6-dione, 7-(2-BUTENYL)-8-((2-CL-6-FLUOROBENZYL)THIO)-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C17H16ClFN4O2S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 3.0842 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.06665 |
| Heavy Atoms | 26 |
| Complexity | 1096.124 |
Chemical Identifiers
| CAS Number | 378206-63-4 |
|---|---|
| SMILES | C/C=C/CN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C |
Product Overview
(E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 378206-63-4), with molecular formula C17H16ClFN4O2S and molecular weight 394.07 g/mol. IUPAC: 7-[(E)-but-2-enyl]-8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.0842 indicates that (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-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 (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 378206-63-4.
What is the molecular formula of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is C17H16ClFN4O2S.
What is the molecular weight of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione is 394.07 g/mol.
Where can I buy (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-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 (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(but-2-en-1-yl)-8-((2-chloro-6-fluorobenzyl)thio)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.