Trimethyl isocitrate
TL;DR: Trimethyl isocitrate (CAS 16496-58-5) is a chemical compound with molecular formula C9H14O7 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl 1-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Trimethyl isocitrate, trimethyl 1-hydroxypropane-1,2,3-tricarboxylate, trimethyl1-hydroxypropane-1,2,3-tricarboxylate, 1,5-Dimethyl 2,3-dideoxy-3-(methoxycarbonyl)pentarate #, Pentaric acid, 2,3-dideoxy-3-(methoxycarbonyl)-, dimethyl ester
| Molecular Formula | C9H14O7 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 234.07396 |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 16496-58-5 |
|---|---|
| SMILES | COC(=O)CC(C(C(=O)OC)O)C(=O)OC |
| InChIKey | HRMWDPSXPUUMOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trimethyl isocitrate (CAS 16496-58-5), with molecular formula C9H14O7 and molecular weight 234.07 g/mol. IUPAC: trimethyl 1-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Trimethyl isocitrate
Property Insights of Trimethyl isocitrate
The XLogP value of -0.8 indicates that Trimethyl isocitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethyl isocitrate. Following Lipinski's Rule of Five, Trimethyl isocitrate 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 Trimethyl isocitrate?
The CAS number of Trimethyl isocitrate is 16496-58-5.
What is the molecular formula of Trimethyl isocitrate?
The molecular formula of Trimethyl isocitrate is C9H14O7.
What is the molecular weight of Trimethyl isocitrate?
The molecular weight of Trimethyl isocitrate is 234.07 g/mol.
Where can I buy Trimethyl isocitrate?
You can request a quote for Trimethyl isocitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethyl isocitrate?
Yes, KEHONG BIO provides custom synthesis services for Trimethyl isocitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.