Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)
TL;DR: Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) (CAS 58823-74-8) is a chemical compound with molecular formula C20H43NO2 and molecular weight 329.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dibutylbutan-1-amine;2-ethylhexanoic acid
Also Known As: Tributylammonium 2-ethylhexanoate, 2-ethylhexanoic acid- n,n-dibutylbutan-1-amine(1:1), N,N-dibutylbutan-1-amine; 2-ethylhexanoic acid, 2-Ethylhexanoic acid, compound with tributylamine (1:1), Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)
| Molecular Formula | C20H43NO2 |
|---|---|
| Molecular Weight | 329.33 g/mol |
| LogP | 5.98 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 329.32938 |
| Heavy Atoms | 23 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 58823-74-8 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CCCCN(CCCC)CCCC |
| InChIKey | SCEKXRWFEURKLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) (CAS 58823-74-8), with molecular formula C20H43NO2 and molecular weight 329.33 g/mol. IUPAC: N,N-dibutylbutan-1-amine;2-ethylhexanoic acid.
Chemical Property Profile of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)
Property Insights of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)
The XLogP value of 5.98 indicates that Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)?
The CAS number of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) is 58823-74-8.
What is the molecular formula of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)?
The molecular formula of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) is C20H43NO2.
What is the molecular weight of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)?
The molecular weight of Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) is 329.33 g/mol.
Where can I buy Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)?
You can request a quote for Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-ethyl-, compd. with N,N-dibutyl-1-butanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.