2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate
TL;DR: 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate (CAS 5776-51-2) is a chemical compound with molecular formula C30H48O12 and molecular weight 600.31 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)cyclohexyl] butanoate
Also Known As: myo-Inositol, 1,2,3,4,5,6-hexabutanoate, [2,3,4,5,6-penta(butanoyloxy)cyclohexyl] butanoate, 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate, cyclohexane-1,2,3,4,5,6-hexol hexabutanoate
| Molecular Formula | C30H48O12 |
|---|---|
| Molecular Weight | 600.31 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 600.3146 |
| Heavy Atoms | 42 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 5776-51-2 |
|---|---|
| SMILES | CCCC(=O)OC1C(C(C(C(C1OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC |
| InChIKey | BPLHFMFLOOJRFC-UHFFFAOYSA-N |
Product Overview
2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate (CAS 5776-51-2), with molecular formula C30H48O12 and molecular weight 600.31 g/mol. IUPAC: [2,3,4,5,6-penta(butanoyloxy)cyclohexyl] butanoate.
Chemical Property Profile of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate
Property Insights of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate
The XLogP value of 4.7 indicates that 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate 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-Pentakis(butyryloxy)cyclohexyl butyrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate 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-Pentakis(butyryloxy)cyclohexyl butyrate?
The CAS number of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate is 5776-51-2.
What is the molecular formula of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate?
The molecular formula of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate is C30H48O12.
What is the molecular weight of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate?
The molecular weight of 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate is 600.31 g/mol.
Where can I buy 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate?
You can request a quote for 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate 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-Pentakis(butyryloxy)cyclohexyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5,6-Pentakis(butyryloxy)cyclohexyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.