Decanedioic acid, 1-ethyl ester
TL;DR: Decanedioic acid, 1-ethyl ester (CAS 693-55-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-ethoxy-10-oxodecanoic acid
Also Known As: Ethyl hydrogen sebacate, 10-ethoxy-10-oxodecanoic acid, Monoethyl sebacate, Ethyl sebacate, Decanedioic acid, 1-ethyl ester
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 693-55-0 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCC(=O)O |
| InChIKey | DLZCDMPHHUODDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decanedioic acid, 1-ethyl ester (CAS 693-55-0), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 10-ethoxy-10-oxodecanoic acid.
Chemical Property Profile of Decanedioic acid, 1-ethyl ester
Property Insights of Decanedioic acid, 1-ethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Decanedioic acid, 1-ethyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Decanedioic acid, 1-ethyl ester. Following Lipinski's Rule of Five, Decanedioic acid, 1-ethyl ester 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 Decanedioic acid, 1-ethyl ester?
The CAS number of Decanedioic acid, 1-ethyl ester is 693-55-0.
What is the molecular formula of Decanedioic acid, 1-ethyl ester?
The molecular formula of Decanedioic acid, 1-ethyl ester is C12H22O4.
What is the molecular weight of Decanedioic acid, 1-ethyl ester?
The molecular weight of Decanedioic acid, 1-ethyl ester is 230.15 g/mol.
Where can I buy Decanedioic acid, 1-ethyl ester?
You can request a quote for Decanedioic acid, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanedioic acid, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Decanedioic acid, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.