![[3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate structure](/static/products/7108/71083-91-5.webp)
[3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate (CAS 71083-91-5) is a chemical compound with molecular formula C19H24BrN3O10 and molecular weight 533.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate|3-(Bromomethyl)-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-1H-pyrazole-5-carboxamide
| Molecular Formula | C19H24BrN3O10 |
|---|---|
| Molecular Weight | 533.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 533.0645 |
| Heavy Atoms | 33 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 71083-91-5 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=N2)CBr)C(=O)N)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | TUKKSPZGHXNSMP-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate (CAS 71083-91-5), with molecular formula C19H24BrN3O10 and molecular weight 533.06 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate
The XLogP value of -0.4 indicates that [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]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-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate has 1 hydrogen bond donor(s) and 11 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-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate is 71083-91-5.
What is the molecular formula of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate is C19H24BrN3O10.
What is the molecular weight of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate is 533.06 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]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-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[3-(bromomethyl)-5-carbamoylpyrazol-1-yl]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.