2-(Ethoxycarbonyl)-2-propylpentanoic acid
TL;DR: 2-(Ethoxycarbonyl)-2-propylpentanoic acid (CAS 258264-00-5) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxycarbonyl-2-propylpentanoic acid
Also Known As: Valproic Acid Impurity 5, Dipropylmalonic acid monoethyl ester, Valproic Acid Impurity 20, 2-(ethoxycarbonyl)-2-propylpentanoic acid, Sodium Valproate Impurity 42
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.2207 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 216.6278 |
Chemical Identifiers
| CAS Number | 258264-00-5 |
|---|---|
| SMILES | CCCC(CCC)(C(=O)O)C(=O)OCC |
Product Overview
2-(Ethoxycarbonyl)-2-propylpentanoic acid (CAS 258264-00-5), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: 2-ethoxycarbonyl-2-propylpentanoic acid.
Chemical Property Profile of 2-(Ethoxycarbonyl)-2-propylpentanoic acid
Property Insights of 2-(Ethoxycarbonyl)-2-propylpentanoic acid
The XLogP value of 2.2207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethoxycarbonyl)-2-propylpentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethoxycarbonyl)-2-propylpentanoic acid. Following Lipinski's Rule of Five, 2-(Ethoxycarbonyl)-2-propylpentanoic acid has 1 hydrogen bond donor(s) and 3 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-(Ethoxycarbonyl)-2-propylpentanoic acid?
The CAS number of 2-(Ethoxycarbonyl)-2-propylpentanoic acid is 258264-00-5.
What is the molecular formula of 2-(Ethoxycarbonyl)-2-propylpentanoic acid?
The molecular formula of 2-(Ethoxycarbonyl)-2-propylpentanoic acid is C11H20O4.
What is the molecular weight of 2-(Ethoxycarbonyl)-2-propylpentanoic acid?
The molecular weight of 2-(Ethoxycarbonyl)-2-propylpentanoic acid is 216.14 g/mol.
Where can I buy 2-(Ethoxycarbonyl)-2-propylpentanoic acid?
You can request a quote for 2-(Ethoxycarbonyl)-2-propylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethoxycarbonyl)-2-propylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethoxycarbonyl)-2-propylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.