2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
TL;DR: 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate (CAS 14152-97-7) is a chemical compound with molecular formula C15H19NO9S and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
Also Known As: GITC, TAGIT, Pregabalin Impurity 153, 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl isothiocyanate, 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
| Molecular Formula | C15H19NO9S |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 389.07806 |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 14152-97-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | WOWNQYXIQWQJRJ-UXXRCYHCSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate (CAS 14152-97-7), with molecular formula C15H19NO9S and molecular weight 389.08 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate.
Chemical Property Profile of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
Property Insights of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate. The TPSA of 159.0 Ų indicates high polarity, suggesting 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate?
The CAS number of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate is 14152-97-7.
What is the molecular formula of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate?
The molecular formula of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate is C15H19NO9S.
What is the molecular weight of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate?
The molecular weight of 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate is 389.08 g/mol.
Where can I buy 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate?
You can request a quote for 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,6-Tetra-O-acetylglucopyranosylisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.