2-Ethyl-1-(4-morpholinyl)-1-hexanone
TL;DR: 2-Ethyl-1-(4-morpholinyl)-1-hexanone (CAS 79868-48-7) is a chemical compound with molecular formula C12H23NO2 and molecular weight 213.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-morpholin-4-ylhexan-1-one
Also Known As: 4-(2-Ethylhexanoyl)morpholine, N-(Ethylbutylacetyl)morpholine, Morpholine, 4-(2-ethylhexanoyl)-, 2-ethyl-1-morpholin-4-ylhexan-1-one, 4-(2-ethyl-hexanoyl)-morpholine
| Molecular Formula | C12H23NO2 |
|---|---|
| Molecular Weight | 213.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.17288 |
| Heavy Atoms | 15 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 79868-48-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)N1CCOCC1 |
| InChIKey | WJNJRMDHLZDCJH-UHFFFAOYSA-N |
Product Overview
2-Ethyl-1-(4-morpholinyl)-1-hexanone (CAS 79868-48-7), with molecular formula C12H23NO2 and molecular weight 213.17 g/mol. IUPAC: 2-ethyl-1-morpholin-4-ylhexan-1-one.
Chemical Property Profile of 2-Ethyl-1-(4-morpholinyl)-1-hexanone
Property Insights of 2-Ethyl-1-(4-morpholinyl)-1-hexanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1-(4-morpholinyl)-1-hexanone. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Ethyl-1-(4-morpholinyl)-1-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-(4-morpholinyl)-1-hexanone has 0 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-Ethyl-1-(4-morpholinyl)-1-hexanone?
The CAS number of 2-Ethyl-1-(4-morpholinyl)-1-hexanone is 79868-48-7.
What is the molecular formula of 2-Ethyl-1-(4-morpholinyl)-1-hexanone?
The molecular formula of 2-Ethyl-1-(4-morpholinyl)-1-hexanone is C12H23NO2.
What is the molecular weight of 2-Ethyl-1-(4-morpholinyl)-1-hexanone?
The molecular weight of 2-Ethyl-1-(4-morpholinyl)-1-hexanone is 213.17 g/mol.
Where can I buy 2-Ethyl-1-(4-morpholinyl)-1-hexanone?
You can request a quote for 2-Ethyl-1-(4-morpholinyl)-1-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-(4-morpholinyl)-1-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-(4-morpholinyl)-1-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.