2,5-Diethylheptanoic acid
TL;DR: 2,5-Diethylheptanoic acid (CAS 54774-84-4) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diethylheptanoic acid
Also Known As: 2,5-Diethylheptanoic acid, Heptanoic acid, 2,5-diethyl-, 2,5-Diethylheptanoic acid #
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 54774-84-4 |
|---|---|
| SMILES | CCC(CC)CCC(CC)C(=O)O |
| InChIKey | XQWMZYYVMUUGRU-UHFFFAOYSA-N |
Product Overview
2,5-Diethylheptanoic acid (CAS 54774-84-4), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2,5-diethylheptanoic acid.
Chemical Property Profile of 2,5-Diethylheptanoic acid
Property Insights of 2,5-Diethylheptanoic acid
The XLogP value of 4.1 indicates that 2,5-Diethylheptanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2,5-Diethylheptanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diethylheptanoic acid has 1 hydrogen bond donor(s) and 2 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 2,5-Diethylheptanoic acid?
The CAS number of 2,5-Diethylheptanoic acid is 54774-84-4.
What is the molecular formula of 2,5-Diethylheptanoic acid?
The molecular formula of 2,5-Diethylheptanoic acid is C11H22O2.
What is the molecular weight of 2,5-Diethylheptanoic acid?
The molecular weight of 2,5-Diethylheptanoic acid is 186.16 g/mol.
Where can I buy 2,5-Diethylheptanoic acid?
You can request a quote for 2,5-Diethylheptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diethylheptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diethylheptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.