RefChem:245675
TL;DR: RefChem:245675 (CAS 18189-51-0) is a chemical compound with molecular formula C12H20Cl2N2O and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride
Also Known As: 2-(3-Dimethylaminopropylamino)tropone dihydrochloride, 2-((3-(Dimethylamino)propyl)amino)-2,4,6-cycloheptatrien-1-one dihydrochloride, 2,4,6-Cycloheptatrien-1-one, 2-((3-(dimethylamino)propyl)amino)-, dihydrochloride, dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride, RefChem:245675
| Molecular Formula | C12H20Cl2N2O |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | -7.22 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.09528 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 18189-51-0 |
|---|---|
| SMILES | C[NH+](C)CCC[NH2+]C1=CC=CC=CC1=O.[Cl-].[Cl-] |
| InChIKey | XLTQYTBIIJXATJ-UHFFFAOYSA-N |
Product Overview
RefChem:245675 (CAS 18189-51-0), with molecular formula C12H20Cl2N2O and molecular weight 278.10 g/mol. IUPAC: dimethyl-[3-[(7-oxocyclohepta-1,3,5-trien-1-yl)azaniumyl]propyl]azanium dichloride.
Chemical Property Profile of RefChem:245675
Property Insights of RefChem:245675
The XLogP value of -7.22 indicates that RefChem:245675 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, RefChem:245675 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:245675 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 RefChem:245675?
The CAS number of RefChem:245675 is 18189-51-0.
What is the molecular formula of RefChem:245675?
The molecular formula of RefChem:245675 is C12H20Cl2N2O.
What is the molecular weight of RefChem:245675?
The molecular weight of RefChem:245675 is 278.10 g/mol.
Where can I buy RefChem:245675?
You can request a quote for RefChem:245675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:245675?
Yes, KEHONG BIO provides custom synthesis services for RefChem:245675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.