1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester
TL;DR: 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester (CAS 32074-56-9) is a chemical compound with molecular formula C10H15O7- and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoate
Also Known As: Diethyl citrate, 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester, 4-ethoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoate
| Molecular Formula | C10H15O7- |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | -1.6262 |
| Topological Polar Surface Area | 112.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 247.08177 |
| Heavy Atoms | 17 |
| Complexity | 277.02954 |
Chemical Identifiers
| CAS Number | 32074-56-9 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)[O-])O |
Product Overview
1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester (CAS 32074-56-9), with molecular formula C10H15O7- and molecular weight 247.08 g/mol. IUPAC: 4-ethoxy-2-(2-ethoxy-2-oxoethyl)-2-hydroxy-4-oxobutanoate.
Chemical Property Profile of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester
Property Insights of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester
The XLogP value of -1.6262 indicates that 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester. Following Lipinski's Rule of Five, 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester has 1 hydrogen bond donor(s) and 7 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 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester?
The CAS number of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester is 32074-56-9.
What is the molecular formula of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester?
The molecular formula of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester is C10H15O7-.
What is the molecular weight of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester?
The molecular weight of 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester is 247.08 g/mol.
Where can I buy 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester?
You can request a quote for 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, 1,2-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.