Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester
TL;DR: Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester (CAS 5493-45-8) is a chemical compound with molecular formula C14H20O6 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate
Also Known As: Diglycidyl 1,2-cyclohexanedicarboxylate, Lekutherm 2159, Lekutherm X 100, Diglycidyl hexahydrophthalate, bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate
| Molecular Formula | C14H20O6 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 284.12598 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| Boiling Point | 152.8 °C at 760 mmHg |
| Density | 1.227 at 17.1 °C |
| Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
| Flash Point | 190.0 °C |
| Vapor Pressure | 7.5e-07 mmHg at 25.0 °C ; 0.000375 at 60.0 °C |
Chemical Identifiers
| CAS Number | 5493-45-8 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)OCC2CO2)C(=O)OCC3CO3 |
| InChIKey | XFUOBHWPTSIEOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester (CAS 5493-45-8), with molecular formula C14H20O6 and molecular weight 284.13 g/mol. IUPAC: bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate.
Chemical Property Profile of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester
Property Insights of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester. Following Lipinski's Rule of Five, Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester?
The CAS number of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester is 5493-45-8.
What is the molecular formula of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester?
The molecular formula of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester is C14H20O6.
What is the molecular weight of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester?
The molecular weight of Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester is 284.13 g/mol.
Where can I buy Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester?
You can request a quote for Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,2-dicarboxylic acid bis(oxiranylmethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.