Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester
TL;DR: Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester (CAS 7790-07-0) is a chemical compound with molecular formula C22H42O6 and molecular weight 402.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[2-(2-ethylbutoxy)ethyl] hexanedioate
Also Known As: Bis[2-(2-ethylbutoxy)ethyl] adipate, Di-2-(2-ethylbutoxy)ethyl adipate, bis[2-(2-ethylbutoxy)ethyl] hexanedioate, Bis(2-(2-ethylbutoxy)ethyl) adipate, Adipic acid, di(2-(2-ethylbutoxy)ethyl) ester
| Molecular Formula | C22H42O6 |
|---|---|
| Molecular Weight | 402.30 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 402.29813 |
| Heavy Atoms | 28 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 7790-07-0 |
|---|---|
| SMILES | CCC(CC)COCCOC(=O)CCCCC(=O)OCCOCC(CC)CC |
| InChIKey | VHCPQIOKWWQIRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester (CAS 7790-07-0), with molecular formula C22H42O6 and molecular weight 402.30 g/mol. IUPAC: bis[2-(2-ethylbutoxy)ethyl] hexanedioate.
Chemical Property Profile of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester
Property Insights of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester
The XLogP value of 4.4 indicates that Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester. Following Lipinski's Rule of Five, Adipic acid, bis(2-(2-ethylbutoxy)ethyl) 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 Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester?
The CAS number of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester is 7790-07-0.
What is the molecular formula of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester?
The molecular formula of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester is C22H42O6.
What is the molecular weight of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester?
The molecular weight of Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester is 402.30 g/mol.
Where can I buy Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester?
You can request a quote for Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.