Ethyl hydrogen suberate
TL;DR: Ethyl hydrogen suberate (CAS 14113-01-0) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethoxy-8-oxooctanoic acid
Also Known As: Ethyl hydrogen suberate, 8-ethoxy-8-oxooctanoic acid, Ethyloctanedioic acid, 1-Ethyl octanedioate, monoethyl suberate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 14113-01-0 |
|---|---|
| SMILES | CCOC(=O)CCCCCCC(=O)O |
| InChIKey | KCFVQEAPUOVXTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl hydrogen suberate (CAS 14113-01-0), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: 8-ethoxy-8-oxooctanoic acid.
Chemical Property Profile of Ethyl hydrogen suberate
Property Insights of Ethyl hydrogen suberate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl hydrogen suberate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl hydrogen suberate. Following Lipinski's Rule of Five, Ethyl hydrogen suberate 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 Ethyl hydrogen suberate?
The CAS number of Ethyl hydrogen suberate is 14113-01-0.
What is the molecular formula of Ethyl hydrogen suberate?
The molecular formula of Ethyl hydrogen suberate is C10H18O4.
What is the molecular weight of Ethyl hydrogen suberate?
The molecular weight of Ethyl hydrogen suberate is 202.12 g/mol.
Where can I buy Ethyl hydrogen suberate?
You can request a quote for Ethyl hydrogen suberate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl hydrogen suberate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl hydrogen suberate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.