(E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 333768-93-7) is a chemical compound with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
Also Known As: BAS 00964899, (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB01295547-01, F0372-0655, 8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.7379 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 772.04 |
Chemical Identifiers
| CAS Number | 333768-93-7 |
|---|---|
| SMILES | C/C=C/CSC1=NC2=C(N1CCOC)C(=O)NC(=O)N2C |
Product Overview
(E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 333768-93-7), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: 8-[(E)-but-2-enyl]sulfanyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 0.7379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 5 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)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 333768-93-7.
What is the molecular formula of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is C13H18N4O3S.
What is the molecular weight of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione is 310.11 g/mol.
Where can I buy (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-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)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-(but-2-en-1-ylthio)-7-(2-methoxyethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.