Tetra-O-benzoyl-D-xylononitrile
TL;DR: Tetra-O-benzoyl-D-xylononitrile (CAS 71439-38-8) is a chemical compound with molecular formula C33H25NO8 and molecular weight 563.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4-tribenzoyloxy-4-cyanobutyl) benzoate
Also Known As: Tetra-O-benzoyl-D-xylononitrile, (2,3,4-tribenzoyloxy-4-cyanobutyl) benzoate, 2,3,4,5-tetra-O-benzoyl-D-arabinononitrile, (1,3,4-tribenzoyloxy-1-cyano-butan-2-yl) benzoate
| Molecular Formula | C33H25NO8 |
|---|---|
| Molecular Weight | 563.16 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 15 |
| Exact Mass | 563.158 |
| Heavy Atoms | 42 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 71439-38-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(C(C(C#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | QCXXHDVDQZZPSK-UHFFFAOYSA-N |
Product Overview
Tetra-O-benzoyl-D-xylononitrile (CAS 71439-38-8), with molecular formula C33H25NO8 and molecular weight 563.16 g/mol. IUPAC: (2,3,4-tribenzoyloxy-4-cyanobutyl) benzoate.
Chemical Property Profile of Tetra-O-benzoyl-D-xylononitrile
Property Insights of Tetra-O-benzoyl-D-xylononitrile
The XLogP value of 6.4 indicates that Tetra-O-benzoyl-D-xylononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetra-O-benzoyl-D-xylononitrile. Following Lipinski's Rule of Five, Tetra-O-benzoyl-D-xylononitrile has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetra-O-benzoyl-D-xylononitrile?
The CAS number of Tetra-O-benzoyl-D-xylononitrile is 71439-38-8.
What is the molecular formula of Tetra-O-benzoyl-D-xylononitrile?
The molecular formula of Tetra-O-benzoyl-D-xylononitrile is C33H25NO8.
What is the molecular weight of Tetra-O-benzoyl-D-xylononitrile?
The molecular weight of Tetra-O-benzoyl-D-xylononitrile is 563.16 g/mol.
Where can I buy Tetra-O-benzoyl-D-xylononitrile?
You can request a quote for Tetra-O-benzoyl-D-xylononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetra-O-benzoyl-D-xylononitrile?
Yes, KEHONG BIO provides custom synthesis services for Tetra-O-benzoyl-D-xylononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.