3,5,5-Trimethylhexyl hydrogen maleate
TL;DR: 3,5,5-Trimethylhexyl hydrogen maleate (CAS 24429-25-2) is a chemical compound with molecular formula C13H22O4 and molecular weight 242.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid
Also Known As: 3,5,5-Trimethylhexyl hydrogen maleate, 4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid, 4-oxo-4-[(3,5,5-trimethylhexyl)oxy]but-2-enoic acid, 2-Butenedioic acid(2Z)-, mono(3,5,5-trimethylhexyl) ester (9CI), EINECS 246-244-3
| Molecular Formula | C13H22O4 |
|---|---|
| Molecular Weight | 242.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 242.15181 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 24429-25-2 |
|---|---|
| SMILES | CC(CCOC(=O)C=CC(=O)O)CC(C)(C)C |
| InChIKey | NJAFJJJFZZALPC-UHFFFAOYSA-N |
Product Overview
3,5,5-Trimethylhexyl hydrogen maleate (CAS 24429-25-2), with molecular formula C13H22O4 and molecular weight 242.15 g/mol. IUPAC: 4-oxo-4-(3,5,5-trimethylhexoxy)but-2-enoic acid.
Chemical Property Profile of 3,5,5-Trimethylhexyl hydrogen maleate
Property Insights of 3,5,5-Trimethylhexyl hydrogen maleate
The XLogP value of 3.3 indicates that 3,5,5-Trimethylhexyl hydrogen maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5,5-Trimethylhexyl hydrogen maleate. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexyl hydrogen maleate has 1 hydrogen bond donor(s) and 4 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 3,5,5-Trimethylhexyl hydrogen maleate?
The CAS number of 3,5,5-Trimethylhexyl hydrogen maleate is 24429-25-2.
What is the molecular formula of 3,5,5-Trimethylhexyl hydrogen maleate?
The molecular formula of 3,5,5-Trimethylhexyl hydrogen maleate is C13H22O4.
What is the molecular weight of 3,5,5-Trimethylhexyl hydrogen maleate?
The molecular weight of 3,5,5-Trimethylhexyl hydrogen maleate is 242.15 g/mol.
Where can I buy 3,5,5-Trimethylhexyl hydrogen maleate?
You can request a quote for 3,5,5-Trimethylhexyl hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexyl hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexyl hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.