![ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside structure](/static/products/1758/17589-68-3.webp)
ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside
TL;DR: ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside (CAS 17589-68-3) is a chemical compound with molecular formula C22H29NO9S and molecular weight 483.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-2-[3-acetyloxy-5-ethylsulfanyl-4-(phenylmethoxycarbonylamino)oxolan-2-yl]ethyl] acetate
Also Known As: ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside, [2-acetyloxy-2-[3-acetyloxy-5-ethylsulfanyl-4-(phenylmethoxycarbonylamino)oxolan-2-yl]ethyl] acetate, [2-acetoxy-2-[3-acetoxy-4-(benzyloxycarbonylamino)-5-ethylsulfanyl-tetrahydrofuran-2-yl]ethyl] acetate, Ethyl 3,5,6-tri-O-acetyl-2-{[(benzyloxy)(hydroxy)methylidene]amino}-2-deoxy-1-thiohexofuranoside
| Molecular Formula | C22H29NO9S |
|---|---|
| Molecular Weight | 483.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 483.1563 |
| Heavy Atoms | 33 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 17589-68-3 |
|---|---|
| SMILES | CCSC1C(C(C(O1)C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | ZQMMLKBAPZDJCH-UHFFFAOYSA-N |
Product Overview
ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside (CAS 17589-68-3), with molecular formula C22H29NO9S and molecular weight 483.16 g/mol. IUPAC: [2-acetyloxy-2-[3-acetyloxy-5-ethylsulfanyl-4-(phenylmethoxycarbonylamino)oxolan-2-yl]ethyl] acetate.
Chemical Property Profile of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside
Property Insights of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside. The TPSA of 152.0 Ų indicates high polarity, suggesting ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-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-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside has 1 hydrogen bond donor(s) and 10 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-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside?
The CAS number of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside is 17589-68-3.
What is the molecular formula of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside?
The molecular formula of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside is C22H29NO9S.
What is the molecular weight of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside?
The molecular weight of ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside is 483.16 g/mol.
Where can I buy ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside?
You can request a quote for ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-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-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3,5,6-tri-o-acetyl-2-{[(benzyloxy)carbonyl]amino}-2-deoxy-1-thiohexofuranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.