beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
TL;DR: beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate (CAS 116509-52-5) is a chemical compound with molecular formula C25H25N3O7S and molecular weight 511.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-3-yl] acetate
Also Known As: beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate, 4,5-Diphenyl-4H-1,2,4-triazol-3-yl 1-thio-beta-D-xylopyranoside 2,3,4-triacetate, 4,5-Diphenyl-4H-1,2,4-triazol-3-yl 2,3,4-tri-O-acetyl-1-thio-beta-D-xylopyranoside, [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-3-yl] acetate, RefChem:329042
| Molecular Formula | C25H25N3O7S |
|---|---|
| Molecular Weight | 511.14 g/mol |
| LogP | 3.1778 |
| Topological Polar Surface Area | 118.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.14133 |
| Heavy Atoms | 36 |
| Complexity | 1218.9055 |
Chemical Identifiers
| CAS Number | 116509-52-5 |
|---|---|
| SMILES | CC(=O)O[C@@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate (CAS 116509-52-5), with molecular formula C25H25N3O7S and molecular weight 511.14 g/mol. IUPAC: [(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]oxan-3-yl] acetate.
Chemical Property Profile of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
Property Insights of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
The XLogP value of 3.1778 indicates that beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.84 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate. Following Lipinski's Rule of Five, beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
The CAS number of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is 116509-52-5.
What is the molecular formula of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
The molecular formula of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is C25H25N3O7S.
What is the molecular weight of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
The molecular weight of beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is 511.14 g/mol.
Where can I buy beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
You can request a quote for beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Xylopyranoside, 4,5-diphenyl-4H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.