2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride (CAS 18189-49-6) is a chemical compound with molecular formula C13H20Cl2N2O2 and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium dichloride
Also Known As: 2-(beta-Morpholinoethylamino)tropone dihydrochloride, 2-((2-Morpholinoethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-((2-MORPHOLINOETHYL)AMINO)-, DIHYDROCHLORIDE, 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium dichloride, RefChem:245672
| Molecular Formula | C13H20Cl2N2O2 |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | -7.84 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.09018 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 18189-49-6 |
|---|---|
| SMILES | C1COCC[NH+]1CC[NH2+]C2=CC=CC=CC2=O.[Cl-].[Cl-] |
| InChIKey | OVQDUYMSWLDEJO-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride (CAS 18189-49-6), with molecular formula C13H20Cl2N2O2 and molecular weight 306.09 g/mol. IUPAC: 2-morpholin-4-ium-4-ylethyl-(7-oxocyclohepta-1,3,5-trien-1-yl)azanium dichloride.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride
The XLogP value of -7.84 indicates that 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.4 Ų, 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride has 2 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 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride is 18189-49-6.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride is C13H20Cl2N2O2.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride is 306.09 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-((2-morpholinoethyl)amino)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.