Benzene-1,2,3,4,5,6-hexayl hexabutanoate
TL;DR: Benzene-1,2,3,4,5,6-hexayl hexabutanoate (CAS 20129-67-3) is a chemical compound with molecular formula C30H42O12 and molecular weight 594.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5,6-penta(butanoyloxy)phenyl] butanoate
Also Known As: Benzene-1,2,3,4,5,6-hexayl hexabutanoate, [2,3,4,5,6-penta(butanoyloxy)phenyl] butanoate, J1.659.468G, 2,3,4,5,6-pentakis(butanoyloxy)phenyl butanoate, Hexakisbutanoic acid 1,2,3,4,5,6-benzenehexyl ester
| Molecular Formula | C30H42O12 |
|---|---|
| Molecular Weight | 594.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 594.26764 |
| Heavy Atoms | 42 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 20129-67-3 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC |
| InChIKey | MZEZQOKVBJQTDN-UHFFFAOYSA-N |
Product Overview
Benzene-1,2,3,4,5,6-hexayl hexabutanoate (CAS 20129-67-3), with molecular formula C30H42O12 and molecular weight 594.27 g/mol. IUPAC: [2,3,4,5,6-penta(butanoyloxy)phenyl] butanoate.
Chemical Property Profile of Benzene-1,2,3,4,5,6-hexayl hexabutanoate
Property Insights of Benzene-1,2,3,4,5,6-hexayl hexabutanoate
The XLogP value of 5.4 indicates that Benzene-1,2,3,4,5,6-hexayl hexabutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Benzene-1,2,3,4,5,6-hexayl hexabutanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-1,2,3,4,5,6-hexayl hexabutanoate 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-1,2,3,4,5,6-hexayl hexabutanoate?
The CAS number of Benzene-1,2,3,4,5,6-hexayl hexabutanoate is 20129-67-3.
What is the molecular formula of Benzene-1,2,3,4,5,6-hexayl hexabutanoate?
The molecular formula of Benzene-1,2,3,4,5,6-hexayl hexabutanoate is C30H42O12.
What is the molecular weight of Benzene-1,2,3,4,5,6-hexayl hexabutanoate?
The molecular weight of Benzene-1,2,3,4,5,6-hexayl hexabutanoate is 594.27 g/mol.
Where can I buy Benzene-1,2,3,4,5,6-hexayl hexabutanoate?
You can request a quote for Benzene-1,2,3,4,5,6-hexayl hexabutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,2,3,4,5,6-hexayl hexabutanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,2,3,4,5,6-hexayl hexabutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.