Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)
TL;DR: Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) (CAS 58823-72-6) is a chemical compound with molecular formula C14H31NO2 and molecular weight 245.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethylethanamine;2-ethylhexanoic acid
Also Known As: Hex-3t-endioylchlorid, Triethylammonium 2-ethylhexanoate, triethylamine 2-ethylhexanoate, Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1), N,N-diethylethanamine; 2-ethylhexanoic acid
| Molecular Formula | C14H31NO2 |
|---|---|
| Molecular Weight | 245.24 g/mol |
| LogP | 3.6355 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 245.23547 |
| Heavy Atoms | 17 |
| Complexity | 162.09537 |
Chemical Identifiers
| CAS Number | 58823-72-6 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.CCN(CC)CC |
Product Overview
Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) (CAS 58823-72-6), with molecular formula C14H31NO2 and molecular weight 245.24 g/mol. IUPAC: N,N-diethylethanamine;2-ethylhexanoic acid.
Chemical Property Profile of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)
Property Insights of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)
The XLogP value of 3.6355 indicates that Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (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-diethylethanamine (1:1) 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 Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)?
The CAS number of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) is 58823-72-6.
What is the molecular formula of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)?
The molecular formula of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) is C14H31NO2.
What is the molecular weight of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)?
The molecular weight of Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) is 245.24 g/mol.
Where can I buy Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1)?
You can request a quote for Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (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-diethylethanamine (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-ethyl-, compd. with N,N-diethylethanamine (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.