![[3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate structure](/static/products/4124/41249-75-6.webp)
[3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate (CAS 41249-75-6) is a chemical compound with molecular formula C29H29N3O9S and molecular weight 595.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate|5,6-Diphenyl-1,2,4-triazin-3-yl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside
| Molecular Formula | C29H29N3O9S |
|---|---|
| Molecular Weight | 595.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 595.1625 |
| Heavy Atoms | 42 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 41249-75-6 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | CGWLEHHVLHZSGZ-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate (CAS 41249-75-6), with molecular formula C29H29N3O9S and molecular weight 595.16 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate
The XLogP value of 3.0 indicates that [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate is 41249-75-6.
What is the molecular formula of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate is C29H29N3O9S.
What is the molecular weight of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate is 595.16 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.