Ethylphosphocitrate
TL;DR: Ethylphosphocitrate (CAS 73319-80-9) is a chemical compound with molecular formula C12H21O10P and molecular weight 356.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[ethoxy(hydroxy)phosphoryl]oxyheptane-2,3,4-tricarboxylic acid
Also Known As: Ethylphosphocitrate, 4-[ethoxy(hydroxy)phosphoryl]oxyheptane-2,3,4-tricarboxylic acid, 3-ethoxycarbonyl-3-phosphonooxypentanedioic acid diethyl ester, 1,2,3-Propanetricarboxylic acid, 2-(phosphonooxy)-, 1,2,3-triethyl ester, 3-C-Carboxy-2,4-dideoxy-3-O-[ethoxy(hydroxy)phosphoryl]-2,4-diethylpentaric acid
| Molecular Formula | C12H21O10P |
|---|---|
| Molecular Weight | 356.09 g/mol |
| LogP | 1.1849 |
| Topological Polar Surface Area | 167.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 356.08722 |
| Heavy Atoms | 23 |
| Complexity | 480.0699 |
Chemical Identifiers
| CAS Number | 73319-80-9 |
|---|---|
| SMILES | CCC(C(=O)O)C(C(CC)C(=O)O)(C(=O)O)OP(=O)(O)OCC |
Product Overview
Ethylphosphocitrate (CAS 73319-80-9), with molecular formula C12H21O10P and molecular weight 356.09 g/mol. IUPAC: 4-[ethoxy(hydroxy)phosphoryl]oxyheptane-2,3,4-tricarboxylic acid.
Chemical Property Profile of Ethylphosphocitrate
Property Insights of Ethylphosphocitrate
The XLogP value of 1.1849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylphosphocitrate. The TPSA of 167.66 Ų indicates high polarity, suggesting Ethylphosphocitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethylphosphocitrate has 4 hydrogen bond donor(s) and 6 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 Ethylphosphocitrate?
The CAS number of Ethylphosphocitrate is 73319-80-9.
What is the molecular formula of Ethylphosphocitrate?
The molecular formula of Ethylphosphocitrate is C12H21O10P.
What is the molecular weight of Ethylphosphocitrate?
The molecular weight of Ethylphosphocitrate is 356.09 g/mol.
Where can I buy Ethylphosphocitrate?
You can request a quote for Ethylphosphocitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylphosphocitrate?
Yes, KEHONG BIO provides custom synthesis services for Ethylphosphocitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.