2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside
TL;DR: 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside (CAS 1780-27-4) is a chemical compound with molecular formula C19H24N2O8S and molecular weight 440.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-pyridin-2-ylsulfanyloxan-2-yl]methyl acetate
Also Known As: Patad-1-thio-D-glucopyranoside, 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside, pyridin-2-yl 3,4,6-tri-o-acetyl-2-(acetylamino)-2-deoxy-1-thio-, A-d-glucopyranoside, [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-pyridin-2-ylsulfanyloxan-2-yl]methyl acetate
| Molecular Formula | C19H24N2O8S |
|---|---|
| Molecular Weight | 440.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 440.12534 |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 1780-27-4 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1SC2=CC=CC=N2)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | CIMMAOWKSJKPKK-SJQORLFUSA-N |
Product Overview
2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside (CAS 1780-27-4), with molecular formula C19H24N2O8S and molecular weight 440.13 g/mol. IUPAC: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-pyridin-2-ylsulfanyloxan-2-yl]methyl acetate.
Chemical Property Profile of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside
Property Insights of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside. The TPSA of 155.0 Ų indicates high polarity, suggesting 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside 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 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside?
The CAS number of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside is 1780-27-4.
What is the molecular formula of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside?
The molecular formula of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside is C19H24N2O8S.
What is the molecular weight of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside?
The molecular weight of 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside is 440.13 g/mol.
Where can I buy 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside?
You can request a quote for 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thioglucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.