![[4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate structure](/static/products/1908/19083-26-2.webp)
[4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
TL;DR: [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate (CAS 19083-26-2) is a chemical compound with molecular formula C30H33N4O9PS and molecular weight 656.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
Also Known As: [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate|9-{2,3-Di-O-acetyl-5-O-[bis(3,5-dimethylphenoxy)phosphoryl]pentofuranosyl}-3,9-dihydro-6H-purine-6-thione|9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate
| Molecular Formula | C30H33N4O9PS |
|---|---|
| Molecular Weight | 656.17 g/mol |
| LogP | 5.76607 |
| Topological Polar Surface Area | 153.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 656.1706 |
| Heavy Atoms | 45 |
| Complexity | 1760.6749 |
Chemical Identifiers
| CAS Number | 19083-26-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OP(=O)(OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C)OC(=O)C)OC5=CC(=CC(=C5)C)C)C |
Product Overview
[4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate (CAS 19083-26-2), with molecular formula C30H33N4O9PS and molecular weight 656.17 g/mol. IUPAC: [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate.
Chemical Property Profile of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
Property Insights of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate
The XLogP value of 5.76607 indicates that [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.09 Ų indicates high polarity, suggesting [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate 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 [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate?
The CAS number of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate is 19083-26-2.
What is the molecular formula of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate?
The molecular formula of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate is C30H33N4O9PS.
What is the molecular weight of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate?
The molecular weight of [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate is 656.17 g/mol.
Where can I buy [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate?
You can request a quote for [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-acetyloxy-2-[bis(3,5-dimethylphenoxy)phosphoryloxymethyl]-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.