1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester
TL;DR: 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68901-23-5) is a chemical compound with molecular formula C27H38O12 and molecular weight 554.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3-bis[(2-carboxycyclohexanecarbonyl)oxy]propoxycarbonyl]cyclohexane-1-carboxylic acid
Also Known As: Glycerol tri(hexahydrophthalate), Propane-1,2,3-triyl tris(cyclohexane-1,2-dicarboxylate), 1,2-Cyclohexanedicarboxylic acid, 1,2,3-propanetriyl ester, 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester, 2,2',2''-[propane-1,2,3-triyltris(oxycarbonyl)]tricyclohexanecarboxylic acid
| Molecular Formula | C27H38O12 |
|---|---|
| Molecular Weight | 554.24 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 554.2363 |
| Heavy Atoms | 39 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 68901-23-5 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)O)C(=O)OCC(COC(=O)C2CCCCC2C(=O)O)OC(=O)C3CCCCC3C(=O)O |
| InChIKey | IZWUWCWNWYLTHQ-UHFFFAOYSA-N |
Product Overview
1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68901-23-5), with molecular formula C27H38O12 and molecular weight 554.24 g/mol. IUPAC: 2-[2,3-bis[(2-carboxycyclohexanecarbonyl)oxy]propoxycarbonyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester
Property Insights of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester
The XLogP value of 3.2 indicates that 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester has 3 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 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
The CAS number of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester is 68901-23-5.
What is the molecular formula of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular formula of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester is C27H38O12.
What is the molecular weight of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular weight of 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester is 554.24 g/mol.
Where can I buy 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
You can request a quote for 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexanedicarboxylic acid, 1,1',1''-(1,2,3-propanetriyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.