![[(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate structure](/static/products/423/4233-68-5.png)
[(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate
TL;DR: [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate (CAS 4233-68-5) is a chemical compound with molecular formula C13H17NO8 and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate
Also Known As: D-Xylononitrile tetraacetate, 2,3,4,5-Tetra-o-acetyl-D-xylonitrile, 2,3,4,5-Tetra-O-acetyl-D-xylononitrile, [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate, 2,3,4,5-tetraacetyloxypentanoic acid
| Molecular Formula | C13H17NO8 |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | -0.13182 |
| Topological Polar Surface Area | 128.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.09543 |
| Heavy Atoms | 22 |
| Complexity | 480.922 |
Chemical Identifiers
| CAS Number | 4233-68-5 |
|---|---|
| SMILES | CC(=O)OC[C@H]([C@@H]([C@H](C#N)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate (CAS 4233-68-5), with molecular formula C13H17NO8 and molecular weight 315.10 g/mol. IUPAC: [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate.
Chemical Property Profile of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate
Property Insights of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate
The XLogP value of -0.13182 indicates that [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 128.99 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate. Following Lipinski's Rule of Five, [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate?
The CAS number of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate is 4233-68-5.
What is the molecular formula of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate?
The molecular formula of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate is C13H17NO8.
What is the molecular weight of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate?
The molecular weight of [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate is 315.10 g/mol.
Where can I buy [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate?
You can request a quote for [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(2R,3R,4S)-2,3,4-triacetyloxy-4-cyanobutyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.