(2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate
TL;DR: (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate (CAS 86779-05-7) is a chemical compound with molecular formula C41H31NO10 and molecular weight 697.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5-tetrabenzoyloxy-5-cyanopentyl) benzoate
Also Known As: (2,3,4,5-tetrabenzoyloxy-5-cyanopentyl) benzoate, (1,2,4,5-tetrabenzoyloxy-1-cyano-pentan-3-yl) benzoate, 1,2,4,5-Tetrakis(benzoyloxy)-1-cyanopentan-3-yl benzoate
| Molecular Formula | C41H31NO10 |
|---|---|
| Molecular Weight | 697.19 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 19 |
| Exact Mass | 697.1948 |
| Heavy Atoms | 52 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 86779-05-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(C(C(C(C#N)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | MWQIMURPUMFMEL-UHFFFAOYSA-N |
Product Overview
(2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate (CAS 86779-05-7), with molecular formula C41H31NO10 and molecular weight 697.19 g/mol. IUPAC: (2,3,4,5-tetrabenzoyloxy-5-cyanopentyl) benzoate.
Chemical Property Profile of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate
Property Insights of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate
The XLogP value of 8.0 indicates that (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate has 0 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 (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate?
The CAS number of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate is 86779-05-7.
What is the molecular formula of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate?
The molecular formula of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate is C41H31NO10.
What is the molecular weight of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate?
The molecular weight of (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate is 697.19 g/mol.
Where can I buy (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate?
You can request a quote for (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4,5-Tetrabenzoyloxy-5-cyanopentyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.