1-Ethyl hexanedioate
TL;DR: 1-Ethyl hexanedioate (CAS 626-86-8) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-6-oxohexanoic acid
Also Known As: Adipic acid monoethyl ester, 6-Ethoxy-6-oxohexanoic acid, Monoethyl adipate, Ethyl hydrogen adipate, Monoethyl hexanedioate
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 626-86-8 |
|---|---|
| SMILES | CCOC(=O)CCCCC(=O)O |
| InChIKey | UZNLHJCCGYKCIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl hexanedioate (CAS 626-86-8), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 6-ethoxy-6-oxohexanoic acid.
Chemical Property Profile of 1-Ethyl hexanedioate
Property Insights of 1-Ethyl hexanedioate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl hexanedioate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl hexanedioate. Following Lipinski's Rule of Five, 1-Ethyl hexanedioate has 1 hydrogen bond donor(s) and 4 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 1-Ethyl hexanedioate?
The CAS number of 1-Ethyl hexanedioate is 626-86-8.
What is the molecular formula of 1-Ethyl hexanedioate?
The molecular formula of 1-Ethyl hexanedioate is C8H14O4.
What is the molecular weight of 1-Ethyl hexanedioate?
The molecular weight of 1-Ethyl hexanedioate is 174.09 g/mol.
Where can I buy 1-Ethyl hexanedioate?
You can request a quote for 1-Ethyl hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.