Benzene-hexa-n-heptanoate
TL;DR: Benzene-hexa-n-heptanoate (CAS 65201-70-9) is a chemical compound with molecular formula C48H78O12 and molecular weight 846.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,4,5,6-penta(heptanoyloxy)phenyl] heptanoate
Also Known As: Benzene-hexa-n-heptanoate, Benzenehexol hexaheptanoate, benzene-1,2,3,4,5,6-hexayl hexaheptanoate, [2,3,4,5,6-penta(heptanoyloxy)phenyl] heptanoate, Hexakisheptanoic acid 1,2,3,4,5,6-benzenehexyl ester
| Molecular Formula | C48H78O12 |
|---|---|
| Molecular Weight | 846.55 g/mol |
| LogP | 15.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 42 |
| Exact Mass | 846.5493 |
| Heavy Atoms | 60 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 65201-70-9 |
|---|---|
| SMILES | CCCCCCC(=O)OC1=C(C(=C(C(=C1OC(=O)CCCCCC)OC(=O)CCCCCC)OC(=O)CCCCCC)OC(=O)CCCCCC)OC(=O)CCCCCC |
| InChIKey | XSMGMVIWGWBNBA-UHFFFAOYSA-N |
Product Overview
Benzene-hexa-n-heptanoate (CAS 65201-70-9), with molecular formula C48H78O12 and molecular weight 846.55 g/mol. IUPAC: [2,3,4,5,6-penta(heptanoyloxy)phenyl] heptanoate.
Chemical Property Profile of Benzene-hexa-n-heptanoate
Property Insights of Benzene-hexa-n-heptanoate
The XLogP value of 15.1 indicates that Benzene-hexa-n-heptanoate 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-heptanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-hexa-n-heptanoate 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-heptanoate?
The CAS number of Benzene-hexa-n-heptanoate is 65201-70-9.
What is the molecular formula of Benzene-hexa-n-heptanoate?
The molecular formula of Benzene-hexa-n-heptanoate is C48H78O12.
What is the molecular weight of Benzene-hexa-n-heptanoate?
The molecular weight of Benzene-hexa-n-heptanoate is 846.55 g/mol.
Where can I buy Benzene-hexa-n-heptanoate?
You can request a quote for Benzene-hexa-n-heptanoate 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-heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzene-hexa-n-heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.