2,4,4-Trimethylhexanedioic acid
TL;DR: 2,4,4-Trimethylhexanedioic acid (CAS 3937-59-5) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylhexanedioic acid
Also Known As: 2,4,4-Trimethylhexanedioic acid, 2,4,4-Trimethyladipic acid, Hexanedioic acid, 2,4,4-trimethyl-, 2,2,4-Trimethyladipic acid, 2,4,4-trimethyl adipic acid
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 3937-59-5 |
|---|---|
| SMILES | CC(CC(C)(C)CC(=O)O)C(=O)O |
| InChIKey | RLEQVGMLDNITBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4-Trimethylhexanedioic acid (CAS 3937-59-5), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 2,4,4-trimethylhexanedioic acid.
Chemical Property Profile of 2,4,4-Trimethylhexanedioic acid
Property Insights of 2,4,4-Trimethylhexanedioic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethylhexanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,4-Trimethylhexanedioic acid. Following Lipinski's Rule of Five, 2,4,4-Trimethylhexanedioic acid has 2 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 2,4,4-Trimethylhexanedioic acid?
The CAS number of 2,4,4-Trimethylhexanedioic acid is 3937-59-5.
What is the molecular formula of 2,4,4-Trimethylhexanedioic acid?
The molecular formula of 2,4,4-Trimethylhexanedioic acid is C9H16O4.
What is the molecular weight of 2,4,4-Trimethylhexanedioic acid?
The molecular weight of 2,4,4-Trimethylhexanedioic acid is 188.10 g/mol.
Where can I buy 2,4,4-Trimethylhexanedioic acid?
You can request a quote for 2,4,4-Trimethylhexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethylhexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethylhexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.