![Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) structure](/static/products/9755/97558-87-7.webp)
Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)
TL;DR: Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) (CAS 97558-87-7) is a chemical compound with molecular formula C14H28N2O2 and molecular weight 256.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diazabicyclo[2.2.2]octane;2-ethylhexanoic acid
Also Known As: Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo(2.2.2)octane, 1,4-diazabicyclo[2.2.2]octane; 2-ethylhexanoic acid, Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo(2.2.2)octane (1:?), Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane, 2-Ethylhexanoic acid--1,4-diazabicyclo[2.2.2]octane (1/1)
| Molecular Formula | C14H28N2O2 |
|---|---|
| Molecular Weight | 256.22 g/mol |
| LogP | 1.905 |
| Topological Polar Surface Area | 43.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.2151 |
| Heavy Atoms | 18 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 97558-87-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)O.C1CN2CCN1CC2 |
| InChIKey | ODKVLQSZENFTOH-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) (CAS 97558-87-7), with molecular formula C14H28N2O2 and molecular weight 256.22 g/mol. IUPAC: 1,4-diazabicyclo[2.2.2]octane;2-ethylhexanoic acid.
Chemical Property Profile of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)
Property Insights of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)
The XLogP value of 1.905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?). With a topological polar surface area (TPSA) of 43.8 Ų, Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) has 1 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 Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)?
The CAS number of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) is 97558-87-7.
What is the molecular formula of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)?
The molecular formula of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) is C14H28N2O2.
What is the molecular weight of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)?
The molecular weight of Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) is 256.22 g/mol.
Where can I buy Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?)?
You can request a quote for Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (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 1,4-diazabicyclo[2.2.2]octane (1:?)?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-ethyl-, compd. with 1,4-diazabicyclo[2.2.2]octane (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.