2-Ethylhexanedioic acid
TL;DR: 2-Ethylhexanedioic acid (CAS 22935-13-3) 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-ethylhexanedioic acid
Also Known As: 2-Ethyladipic acid, 2-ethylhexanedioic acid, Ethyladipic acid, Ethyladipate, Hexanedioic acid, 2-ethyl-
| 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 | 6 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 22935-13-3 |
|---|---|
| SMILES | CCC(CCCC(=O)O)C(=O)O |
| InChIKey | FANBESOFXBDQSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylhexanedioic acid (CAS 22935-13-3), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 2-ethylhexanedioic acid.
Chemical Property Profile of 2-Ethylhexanedioic acid
Property Insights of 2-Ethylhexanedioic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexanedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethylhexanedioic acid. Following Lipinski's Rule of Five, 2-Ethylhexanedioic 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-Ethylhexanedioic acid?
The CAS number of 2-Ethylhexanedioic acid is 22935-13-3.
What is the molecular formula of 2-Ethylhexanedioic acid?
The molecular formula of 2-Ethylhexanedioic acid is C8H14O4.
What is the molecular weight of 2-Ethylhexanedioic acid?
The molecular weight of 2-Ethylhexanedioic acid is 174.09 g/mol.
Where can I buy 2-Ethylhexanedioic acid?
You can request a quote for 2-Ethylhexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.