Aconitic acid, TMS
TL;DR: Aconitic acid, TMS (CAS 55530-71-7) is a chemical compound with molecular formula C15H30O6Si3 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(trimethylsilyl) (Z)-prop-1-ene-1,2,3-tricarboxylate
Also Known As: Aconitic acid, TMS, Aconitic acid, tri-TMS, trans-Aconitic acid (tms), cis-Aconitic acid (3TMS), (Z)-Aconitic acid, tris-TMS
| Molecular Formula | C15H30O6Si3 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 3.4372 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 390.135 |
| Heavy Atoms | 24 |
| Complexity | 520.79816 |
Chemical Identifiers
| CAS Number | 55530-71-7 |
|---|---|
| SMILES | C[Si](C)(C)OC(=O)C/C(=C/C(=O)O[Si](C)(C)C)/C(=O)O[Si](C)(C)C |
Product Overview
Aconitic acid, TMS (CAS 55530-71-7), with molecular formula C15H30O6Si3 and molecular weight 390.13 g/mol. IUPAC: tris(trimethylsilyl) (Z)-prop-1-ene-1,2,3-tricarboxylate.
Chemical Property Profile of Aconitic acid, TMS
Property Insights of Aconitic acid, TMS
The XLogP value of 3.4372 indicates that Aconitic acid, TMS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Aconitic acid, TMS. Following Lipinski's Rule of Five, Aconitic acid, TMS has 0 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 Aconitic acid, TMS?
The CAS number of Aconitic acid, TMS is 55530-71-7.
What is the molecular formula of Aconitic acid, TMS?
The molecular formula of Aconitic acid, TMS is C15H30O6Si3.
What is the molecular weight of Aconitic acid, TMS?
The molecular weight of Aconitic acid, TMS is 390.13 g/mol.
Where can I buy Aconitic acid, TMS?
You can request a quote for Aconitic acid, TMS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aconitic acid, TMS?
Yes, KEHONG BIO provides custom synthesis services for Aconitic acid, TMS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.