![[3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate structure](/static/products/881/88110-69-4.png)
[3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate
TL;DR: [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate (CAS 88110-69-4) is a chemical compound with molecular formula C13H17N5O5S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2-[(2-amino-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] acetate
Also Known As: 2-amino-9-[(1,3-diacetoxy-2-propoxy)methyl]-6-thiopurine, [3-acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate, [3-acetyloxy-2-[(2-amino-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] acetate, 1,3-Propanediol, 2-[(2-amino-6-mercapto-9H-purin-9-yl)methoxy]-, diacetate (ester)
| Molecular Formula | C13H17N5O5S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 0.53999 |
| Topological Polar Surface Area | 134.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.09503 |
| Heavy Atoms | 24 |
| Complexity | 783.6366 |
Chemical Identifiers
| CAS Number | 88110-69-4 |
|---|---|
| SMILES | CC(=O)OCC(COC(=O)C)OCN1C=NC2=C1NC(=NC2=S)N |
Product Overview
[3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate (CAS 88110-69-4), with molecular formula C13H17N5O5S and molecular weight 355.10 g/mol. IUPAC: [3-acetyloxy-2-[(2-amino-6-sulfanylidene-3H-purin-9-yl)methoxy]propyl] acetate.
Chemical Property Profile of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate
Property Insights of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate
The XLogP value of 0.53999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate. The TPSA of 134.35 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate. Following Lipinski's Rule of Five, [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate has 2 hydrogen bond donor(s) and 9 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 [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate?
The CAS number of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate is 88110-69-4.
What is the molecular formula of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate?
The molecular formula of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate is C13H17N5O5S.
What is the molecular weight of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate?
The molecular weight of [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate is 355.10 g/mol.
Where can I buy [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate?
You can request a quote for [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [3-Acetoxy-2-[(2-amino-6-sulfanyl-purin-9-yl)methoxy]propyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.