![2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid structure](/static/products/8558/85586-84-1.webp)
2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid
TL;DR: 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid (CAS 85586-84-1) is a chemical compound with molecular formula C24H42O7 and molecular weight 442.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(2-octadec-9-enoxy-2-oxoethyl)butanedioic acid
Also Known As: (Z)-(9-Octadecenyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate, 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid
| Molecular Formula | C24H42O7 |
|---|---|
| Molecular Weight | 442.29 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 442.29306 |
| Heavy Atoms | 31 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 85586-84-1 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)CC(CC(=O)O)(C(=O)O)O |
| InChIKey | QPXDCWRAUMXWMG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid (CAS 85586-84-1), with molecular formula C24H42O7 and molecular weight 442.29 g/mol. IUPAC: 2-hydroxy-2-(2-octadec-9-enoxy-2-oxoethyl)butanedioic acid.
Chemical Property Profile of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid
Property Insights of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid
The XLogP value of 6.2 indicates that 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid. Following Lipinski's Rule of Five, 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid?
The CAS number of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid is 85586-84-1.
What is the molecular formula of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid?
The molecular formula of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid is C24H42O7.
What is the molecular weight of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid?
The molecular weight of 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid is 442.29 g/mol.
Where can I buy 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid?
You can request a quote for 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-{2-[(octadec-9-en-1-yl)oxy]-2-oxoethyl}butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.