Benzene-hexa-n-octanoate
TL;DR: Benzene-hexa-n-octanoate (CAS 65201-71-0) is a chemical compound with molecular formula C54H90O12 and molecular weight 930.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate
Also Known As: Benzene-hexa-n-octanoate, octanoate, benzene-hexa-octanoate, Benzenehexol hexaoctanoate, benzenehexayl hexakis(octanoate)
| Molecular Formula | C54H90O12 |
|---|---|
| Molecular Weight | 930.64 g/mol |
| LogP | 18.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 48 |
| Exact Mass | 930.64325 |
| Heavy Atoms | 66 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 65201-71-0 |
|---|---|
| SMILES | CCCCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC |
| InChIKey | ZYULWONIYVWSQP-UHFFFAOYSA-N |
Product Overview
Benzene-hexa-n-octanoate (CAS 65201-71-0), with molecular formula C54H90O12 and molecular weight 930.64 g/mol. IUPAC: [2,3,4,5,6-penta(octanoyloxy)phenyl] octanoate.
Chemical Property Profile of Benzene-hexa-n-octanoate
Property Insights of Benzene-hexa-n-octanoate
The XLogP value of 18.4 indicates that Benzene-hexa-n-octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Benzene-hexa-n-octanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-hexa-n-octanoate 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 Benzene-hexa-n-octanoate?
The CAS number of Benzene-hexa-n-octanoate is 65201-71-0.
What is the molecular formula of Benzene-hexa-n-octanoate?
The molecular formula of Benzene-hexa-n-octanoate is C54H90O12.
What is the molecular weight of Benzene-hexa-n-octanoate?
The molecular weight of Benzene-hexa-n-octanoate is 930.64 g/mol.
Where can I buy Benzene-hexa-n-octanoate?
You can request a quote for Benzene-hexa-n-octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-hexa-n-octanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzene-hexa-n-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.