Benzene-hexa-n-hexanoate
TL;DR: Benzene-hexa-n-hexanoate (CAS 65201-69-6) is a chemical compound with molecular formula C42H66O12 and molecular weight 762.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5,6-penta(hexanoyloxy)phenyl] hexanoate
Also Known As: Benzene-hexa-n-hexanoate, Benzene-1,2,3,4,5,6-hexayl hexahexanoate, [2,3,4,5,6-penta(hexanoyloxy)phenyl] hexanoate, Hexakishexanoic acid 1,2,3,4,5,6-benzenehexyl ester, 2,3,4,5,6-PENTAKIS(HEXANOYLOXY)PHENYL HEXANOATE
| Molecular Formula | C42H66O12 |
|---|---|
| Molecular Weight | 762.46 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Exact Mass | 762.45544 |
| Heavy Atoms | 54 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 65201-69-6 |
|---|---|
| SMILES | CCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC)OC(=O)CCCCC |
| InChIKey | GUERWKLSTJCDLZ-UHFFFAOYSA-N |
Product Overview
Benzene-hexa-n-hexanoate (CAS 65201-69-6), with molecular formula C42H66O12 and molecular weight 762.46 g/mol. IUPAC: [2,3,4,5,6-penta(hexanoyloxy)phenyl] hexanoate.
Chemical Property Profile of Benzene-hexa-n-hexanoate
Property Insights of Benzene-hexa-n-hexanoate
The XLogP value of 11.9 indicates that Benzene-hexa-n-hexanoate 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-hexanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-hexa-n-hexanoate 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-hexanoate?
The CAS number of Benzene-hexa-n-hexanoate is 65201-69-6.
What is the molecular formula of Benzene-hexa-n-hexanoate?
The molecular formula of Benzene-hexa-n-hexanoate is C42H66O12.
What is the molecular weight of Benzene-hexa-n-hexanoate?
The molecular weight of Benzene-hexa-n-hexanoate is 762.46 g/mol.
Where can I buy Benzene-hexa-n-hexanoate?
You can request a quote for Benzene-hexa-n-hexanoate 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-hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzene-hexa-n-hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.