isocitric acid
TL;DR: isocitric acid (CAS 14330-97-3) is a chemical compound with molecular formula C18H40O7Si4 and molecular weight 480.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate
Also Known As: isocitric acid, Citric acid, (4TMS), Citric acid, tetra-TMS, Citric acid, tetrakis-TMS, CITRIC ACID-TETRA-TMS
| Molecular Formula | C18H40O7Si4 |
|---|---|
| Molecular Weight | 480.19 g/mol |
| LogP | 4.4912 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 480.18512 |
| Heavy Atoms | 29 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 14330-97-3 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)CC(CC(=O)O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[Si](C)(C)C |
| InChIKey | VFGAVMGYDWDESE-UHFFFAOYSA-N |
Product Overview
isocitric acid (CAS 14330-97-3), with molecular formula C18H40O7Si4 and molecular weight 480.19 g/mol. IUPAC: tris(trimethylsilyl) 2-trimethylsilyloxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of isocitric acid
Property Insights of isocitric acid
The XLogP value of 4.4912 indicates that isocitric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for isocitric acid. Following Lipinski's Rule of Five, isocitric acid has 0 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 isocitric acid?
The CAS number of isocitric acid is 14330-97-3.
What is the molecular formula of isocitric acid?
The molecular formula of isocitric acid is C18H40O7Si4.
What is the molecular weight of isocitric acid?
The molecular weight of isocitric acid is 480.19 g/mol.
Where can I buy isocitric acid?
You can request a quote for isocitric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isocitric acid?
Yes, KEHONG BIO provides custom synthesis services for isocitric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.