ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside
TL;DR: ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside (CAS 7115-40-4) is a chemical compound with molecular formula C16H25NO8S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetamido-3-acetyloxy-5-ethylsulfanyloxolan-2-yl)-2-acetyloxyethyl] acetate
Also Known As: ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside, [2-(4-acetamido-3-acetyloxy-5-ethylsulfanyloxolan-2-yl)-2-acetyloxyethyl] acetate, Ethyl 3,5,6-tri-O-acetyl-2-deoxy-2-[(1-hydroxyethylidene)amino]-1-thiohexofuranoside
| Molecular Formula | C16H25NO8S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 391.1301 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 7115-40-4 |
|---|---|
| SMILES | CCSC1C(C(C(O1)C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
| InChIKey | SZULVJAZHGQZQY-UHFFFAOYSA-N |
Product Overview
ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside (CAS 7115-40-4), with molecular formula C16H25NO8S and molecular weight 391.13 g/mol. IUPAC: [2-(4-acetamido-3-acetyloxy-5-ethylsulfanyloxolan-2-yl)-2-acetyloxyethyl] acetate.
Chemical Property Profile of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside
Property Insights of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside. The TPSA of 143.0 Ų indicates high polarity, suggesting ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside has 1 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 ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside?
The CAS number of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside is 7115-40-4.
What is the molecular formula of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside?
The molecular formula of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside is C16H25NO8S.
What is the molecular weight of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside?
The molecular weight of ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside is 391.13 g/mol.
Where can I buy ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside?
You can request a quote for ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,5,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thiohexofuranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.