(2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate
TL;DR: (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate (CAS 4099-90-5) is a chemical compound with molecular formula C48H36O12 and molecular weight 804.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentabenzoyloxycyclohexyl) benzoate
Also Known As: myo-Inositolhexabenzoate, myo-Inositol, hexabenzoate, cis-Inositol hexabenzoate, myo-Inositol hexabenzoate, Hexa-O-benzoyl-myo-inositol
| Molecular Formula | C48H36O12 |
|---|---|
| Molecular Weight | 804.22 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 804.2207 |
| Heavy Atoms | 60 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 4099-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2C(C(C(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7 |
| InChIKey | PGIHUYLQFKRAJE-UHFFFAOYSA-N |
Product Overview
(2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate (CAS 4099-90-5), with molecular formula C48H36O12 and molecular weight 804.22 g/mol. IUPAC: (2,3,4,5,6-pentabenzoyloxycyclohexyl) benzoate.
Chemical Property Profile of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate
Property Insights of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate
The XLogP value of 9.7 indicates that (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate?
The CAS number of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate is 4099-90-5.
What is the molecular formula of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate?
The molecular formula of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate is C48H36O12.
What is the molecular weight of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate?
The molecular weight of (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate is 804.22 g/mol.
Where can I buy (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate?
You can request a quote for (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (2,3,4,5,6-Pentabenzoyloxycyclohexyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.