(E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione (CAS 306733-11-9) is a chemical compound with molecular formula C18H28N4O2S and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(E)-but-2-enyl]-3-methyl-8-octylsulfanylpurine-2,6-dione
Also Known As: BAS 00964796, UPCMLD0ENAT5835087:001, (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione, 7-[(E)-but-2-enyl]-3-methyl-8-octylsulfanylpurine-2,6-dione, 7-((2E)but-2-enyl)-3-methyl-8-octylthio-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C18H28N4O2S |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 3.452 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 364.1933 |
| Heavy Atoms | 25 |
| Complexity | 831.9393 |
Chemical Identifiers
| CAS Number | 306733-11-9 |
|---|---|
| SMILES | CCCCCCCCSC1=NC2=C(N1C/C=C/C)C(=O)NC(=O)N2C |
Product Overview
(E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione (CAS 306733-11-9), with molecular formula C18H28N4O2S and molecular weight 364.19 g/mol. IUPAC: 7-[(E)-but-2-enyl]-3-methyl-8-octylsulfanylpurine-2,6-dione.
Chemical Property Profile of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 3.452 indicates that (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-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)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-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)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione is 306733-11-9.
What is the molecular formula of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione is C18H28N4O2S.
What is the molecular weight of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione is 364.19 g/mol.
Where can I buy (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-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)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-7-(but-2-en-1-yl)-3-methyl-8-(octylthio)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.