2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol
TL;DR: 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol (CAS 7230-42-4) is a chemical compound with molecular formula C20H26N4O8S2 and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate
Also Known As: 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol, [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate, (1R)-2,4,5-Tetra-O-acetyl-1-deoxy-1-S-ethyl-1-(purin-9-yl-6(1H)-thione)-1-thioaldehydo-D-arabinose aldehydrol, D-Arabinitol, 1-C-(1,6-dihydro-6-thioxo-9H-purin-9-yl)-1-S-ethyl-1-thio-, 2,3,4,5-tetraacetate, (R)-, D-Arabinitol,6-dihydro-6-thioxo-9H-purin-9-yl)-1-S-ethyl-1-thio-, 2,3,4,5-tetraacetate, (R)-
| Molecular Formula | C20H26N4O8S2 |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 2.09879 |
| Topological Polar Surface Area | 151.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.1192 |
| Heavy Atoms | 34 |
| Complexity | 1101.6742 |
Chemical Identifiers
| CAS Number | 7230-42-4 |
|---|---|
| SMILES | CCSC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)N1C=NC2=C1NC=NC2=S |
Product Overview
2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol (CAS 7230-42-4), with molecular formula C20H26N4O8S2 and molecular weight 514.12 g/mol. IUPAC: [2,3,4-triacetyloxy-5-ethylsulfanyl-5-(6-sulfanylidene-3H-purin-9-yl)pentyl] acetate.
Chemical Property Profile of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol
Property Insights of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol
The XLogP value of 2.09879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol. The TPSA of 151.7 Ų indicates high polarity, suggesting 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol?
The CAS number of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol is 7230-42-4.
What is the molecular formula of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol?
The molecular formula of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol is C20H26N4O8S2.
What is the molecular weight of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol?
The molecular weight of 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol is 514.12 g/mol.
Where can I buy 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol?
You can request a quote for 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetra-O-acetyl-1-S-ethyl-1-C-(6-sulfanyl-9H-purin-9-yl)-1-thiopentitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.