RefChem:329006
TL;DR: RefChem:329006 (CAS 116509-58-1) is a chemical compound with molecular formula C28H30ClN3O9S and molecular weight 619.1391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate;hydrochloride
Also Known As: beta-D-Glucopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride, 4,5-Diphenyl-4H-1,2,4-triazol-3-yl 1-thio-beta-D-glucopyranoside 2,3,4,6-tetraacetate HCl, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate hydrochloride, 4,5-Diphenyl-4H-1,2,4-triazol-3-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranoside--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C28H30ClN3O9S |
| Molecular Weight | 619.1391 g/mol |
| XLogP | 3.5313 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 619.1391 Da |
| Heavy Atoms | 42 |
| Complexity | 927.0 |
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C.Cl |
| InChIKey | BLPNDOJHFQOIBE-HIUQAGJGSA-N |
Chemical Property Profile of RefChem:329006
Property Insights of RefChem:329006
The XLogP value of 3.5313 indicates that RefChem:329006 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting RefChem:329006 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:329006 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:329006?
The CAS number of RefChem:329006 is 116509-58-1.
What is the molecular formula of RefChem:329006?
The molecular formula of RefChem:329006 is C28H30ClN3O9S.
What is the molecular weight of RefChem:329006?
The molecular weight of RefChem:329006 is 619.1391 g/mol.
Where can I buy RefChem:329006?
You can request a quote for RefChem:329006 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:329006?
Yes, CoreyChem provides custom synthesis services for RefChem:329006 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.