2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride (CAS 18189-47-4) is a chemical compound with molecular formula C13H22Cl2N2O and molecular weight 292.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl]azanium dichloride
Also Known As: 2-(beta-Diethylaminoethylamino)tropone dihydrochloride, 2-((2-(Diethylamino)ethyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride, 2,4,6-CYCLOHEPTATRIEN-1-ONE, 2-((2-(DIETHYLAMINO)ETHYL)AMINO)-, DIHYDROCHLORIDE, diethyl-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl]azanium dichloride, RefChem:245669
| Molecular Formula | C13H22Cl2N2O |
|---|---|
| Molecular Weight | 292.11 g/mol |
| LogP | -6.83 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.11093 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 18189-47-4 |
|---|---|
| SMILES | CC[NH+](CC)CC[NH2+]C1=CC=CC=CC1=O.[Cl-].[Cl-] |
| InChIKey | UTSDPVDIACMPKL-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride (CAS 18189-47-4), with molecular formula C13H22Cl2N2O and molecular weight 292.11 g/mol. IUPAC: diethyl-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]ethyl]azanium dichloride.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride
The XLogP value of -6.83 indicates that 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.1 Ų, 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)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-(diethylamino)ethyl)amino)-, dihydrochloride has 2 hydrogen bond donor(s) and 3 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-(diethylamino)ethyl)amino)-, dihydrochloride?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride is 18189-47-4.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride is C13H22Cl2N2O.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride is 292.11 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)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-(diethylamino)ethyl)amino)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-((2-(diethylamino)ethyl)amino)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.