RefChem:328964
TL;DR: RefChem:328964 (CAS 116509-59-2) is a chemical compound with molecular formula C17H24ClN3O9S and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate;hydrochloride
Also Known As: beta-D-Galactopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4,6-tetraacetate, monohydrochloride, 5-Methyl-1H-1,2,4-triazol-3-yl 1-thio-beta-D-galactopyranoside 2,3,4,6-tetraacetate,, [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate hydrochloride, 5-Methyl-1H-1,2,4-triazol-3-yl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside--hydrogen chloride (1/1), RefChem:328964
| Molecular Formula | C17H24ClN3O9S |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 0.71012 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.09216 |
| Heavy Atoms | 31 |
| Complexity | 805.5652 |
Chemical Identifiers
| CAS Number | 116509-59-2 |
|---|---|
| SMILES | CC1=NC(=NN1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.Cl |
Product Overview
RefChem:328964 (CAS 116509-59-2), with molecular formula C17H24ClN3O9S and molecular weight 481.09 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-2-yl]methyl acetate;hydrochloride.
Chemical Property Profile of RefChem:328964
Property Insights of RefChem:328964
The XLogP value of 0.71012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:328964. The TPSA of 156.0 Ų indicates high polarity, suggesting RefChem:328964 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:328964 has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:328964?
The CAS number of RefChem:328964 is 116509-59-2.
What is the molecular formula of RefChem:328964?
The molecular formula of RefChem:328964 is C17H24ClN3O9S.
What is the molecular weight of RefChem:328964?
The molecular weight of RefChem:328964 is 481.09 g/mol.
Where can I buy RefChem:328964?
You can request a quote for RefChem:328964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:328964?
Yes, KEHONG BIO provides custom synthesis services for RefChem:328964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.