1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester
TL;DR: 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester (CAS 28781-91-1) is a chemical compound with molecular formula C15H20O12 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexamethyl propane-1,1,2,2,3,3-hexacarboxylate
Also Known As: hexamethyl propane-1,1,2,2,3,3-hexacarboxylate, J1.056.731I, 1,1,2,2,3,3-hexamethyl Propane-1,1,2,2,3,3-hexacarboxylate, 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester, hexamethyl 1,1,2,2,3,3-propane-hexacarboxylate
| Molecular Formula | C15H20O12 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | -1.7568 |
| Topological Polar Surface Area | 157.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.0955 |
| Heavy Atoms | 27 |
| Complexity | 536.2869 |
Chemical Identifiers
| CAS Number | 28781-91-1 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)C(C(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC |
Product Overview
1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester (CAS 28781-91-1), with molecular formula C15H20O12 and molecular weight 392.10 g/mol. IUPAC: hexamethyl propane-1,1,2,2,3,3-hexacarboxylate.
Chemical Property Profile of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester
Property Insights of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester
The XLogP value of -1.7568 indicates that 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.8 Ų indicates high polarity, suggesting 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester 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 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester?
The CAS number of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester is 28781-91-1.
What is the molecular formula of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester?
The molecular formula of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester is C15H20O12.
What is the molecular weight of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester?
The molecular weight of 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester is 392.10 g/mol.
Where can I buy 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester?
You can request a quote for 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,2,3,3-Propanehexacarboxylic acid, hexamethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.