2,4-Dimethyladipic acid
TL;DR: 2,4-Dimethyladipic acid (CAS 40933-45-7) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethylhexanedioic acid
Also Known As: 2,4-dimethyladipic acid, 2,4-Dimethylhexanedioic acid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 40933-45-7 |
|---|---|
| SMILES | CC(CC(C)C(=O)O)CC(=O)O |
| InChIKey | OEEUPULXQBRPEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyladipic acid (CAS 40933-45-7), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2,4-dimethylhexanedioic acid.
Chemical Property Profile of 2,4-Dimethyladipic acid
Property Insights of 2,4-Dimethyladipic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyladipic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyladipic acid. Following Lipinski's Rule of Five, 2,4-Dimethyladipic 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-Dimethyladipic acid?
The CAS number of 2,4-Dimethyladipic acid is 40933-45-7.
What is the molecular formula of 2,4-Dimethyladipic acid?
The molecular formula of 2,4-Dimethyladipic acid is C8H14O4.
What is the molecular weight of 2,4-Dimethyladipic acid?
The molecular weight of 2,4-Dimethyladipic acid is 174.09 g/mol.
Where can I buy 2,4-Dimethyladipic acid?
You can request a quote for 2,4-Dimethyladipic 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-Dimethyladipic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyladipic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.