beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
TL;DR: beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate (CAS 116509-51-4) is a chemical compound with molecular formula C14H19N3O7S and molecular weight 373.09436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-3-yl] acetate
Also Known As: beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate, 5-Methyl-1H-1,2,4-triazol-3-yl 1-thio-beta-D-xylopyranoside 2,3,4-triacetate, 5-Methyl-1H-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-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]oxan-3-yl] acetate
Technical Specifications
| Molecular Formula | C14H19N3O7S |
| Molecular Weight | 373.09436 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.09436 Da |
| Heavy Atoms | 25 |
| Complexity | 521.0 |
| SMILES | CC1=NC(=NN1)S[C@H]2[C@@H]([C@H]([C@@H](CO2)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | JPBWBXULUWHVSI-XQHKEYJVSA-N |
Chemical Property Profile of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
Property Insights of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate. The TPSA of 155.0 Ų indicates high polarity, suggesting beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate 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
What is the CAS number of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
The CAS number of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is 116509-51-4.
What is the molecular formula of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
The molecular formula of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is C14H19N3O7S.
What is the molecular weight of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
The molecular weight of beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate is 373.09436 g/mol.
Where can I buy beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
You can request a quote for beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for beta-D-Xylopyranoside, 5-methyl-1H-1,2,4-triazol-3-yl 1-thio-, 2,3,4-triacetate?
Yes, CoreyChem provides custom synthesis services for beta-D-Xylopyranoside, 5-methyl-1H-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.