2-Butoxyethyl 2-ethylhexyl hexanedioate
TL;DR: 2-Butoxyethyl 2-ethylhexyl hexanedioate (CAS 68332-90-1) is a chemical compound with molecular formula C20H38O5 and molecular weight 358.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2-butoxyethyl) 6-O-(2-ethylhexyl) hexanedioate
Also Known As: 2-butoxyethyl 2-ethylhexyl hexanedioate, Hexanedioic acid, mixed 2-butoxyethyl and 2-ethylhexyl esters, 1-O-(2-butoxyethyl) 6-O-(2-ethylhexyl) hexanedioate
| Molecular Formula | C20H38O5 |
|---|---|
| Molecular Weight | 358.27 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 358.2719 |
| Heavy Atoms | 25 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 68332-90-1 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCCC(=O)OCCOCCCC |
| InChIKey | HZAIEODTJWLSKC-UHFFFAOYSA-N |
Product Overview
2-Butoxyethyl 2-ethylhexyl hexanedioate (CAS 68332-90-1), with molecular formula C20H38O5 and molecular weight 358.27 g/mol. IUPAC: 1-O-(2-butoxyethyl) 6-O-(2-ethylhexyl) hexanedioate.
Chemical Property Profile of 2-Butoxyethyl 2-ethylhexyl hexanedioate
Property Insights of 2-Butoxyethyl 2-ethylhexyl hexanedioate
The XLogP value of 4.8 indicates that 2-Butoxyethyl 2-ethylhexyl hexanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butoxyethyl 2-ethylhexyl hexanedioate. Following Lipinski's Rule of Five, 2-Butoxyethyl 2-ethylhexyl hexanedioate has 0 hydrogen bond donor(s) and 5 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 2-Butoxyethyl 2-ethylhexyl hexanedioate?
The CAS number of 2-Butoxyethyl 2-ethylhexyl hexanedioate is 68332-90-1.
What is the molecular formula of 2-Butoxyethyl 2-ethylhexyl hexanedioate?
The molecular formula of 2-Butoxyethyl 2-ethylhexyl hexanedioate is C20H38O5.
What is the molecular weight of 2-Butoxyethyl 2-ethylhexyl hexanedioate?
The molecular weight of 2-Butoxyethyl 2-ethylhexyl hexanedioate is 358.27 g/mol.
Where can I buy 2-Butoxyethyl 2-ethylhexyl hexanedioate?
You can request a quote for 2-Butoxyethyl 2-ethylhexyl hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butoxyethyl 2-ethylhexyl hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Butoxyethyl 2-ethylhexyl hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.