Estasol
TL;DR: Estasol (CAS 95481-62-2) is a chemical compound with molecular formula C21H36O12 and molecular weight 480.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate
Also Known As: Estasol, Dibasic ester, DBE dibasic ester, imsol, dibasic acid
| Molecular Formula | C21H36O12 |
|---|---|
| Molecular Weight | 480.22 g/mol |
| LogP | 1.5081 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Exact Mass | 480.22067 |
| Heavy Atoms | 33 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 95481-62-2 |
|---|---|
| SMILES | COC(=O)CCCCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCC(=O)OC |
| InChIKey | QYMFNZIUDRQRSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estasol (CAS 95481-62-2), with molecular formula C21H36O12 and molecular weight 480.22 g/mol. IUPAC: dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate.
Chemical Property Profile of Estasol
Property Insights of Estasol
The XLogP value of 1.5081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estasol. The TPSA of 158.0 Ų indicates high polarity, suggesting Estasol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estasol 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 Estasol?
The CAS number of Estasol is 95481-62-2.
What is the molecular formula of Estasol?
The molecular formula of Estasol is C21H36O12.
What is the molecular weight of Estasol?
The molecular weight of Estasol is 480.22 g/mol.
Where can I buy Estasol?
You can request a quote for Estasol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estasol?
Yes, KEHONG BIO provides custom synthesis services for Estasol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.