RefChem:1079788
TL;DR: RefChem:1079788 (CAS 69725-25-3) is a chemical compound with molecular formula C17H25ClFN and molecular weight 297.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-(4-fluorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride
Also Known As: (E)-2-(Dimethylaminomethyl)-3-(p-fluorophenyl)bicyclo(2.2.2)octane, hydrochloride, Bicyclo(2.2.2)octane-2-methylamine, N,N-dimethyl-3-(p-fluorophenyl)-, hydrochloride, (E)-, [(7R)-8-(4-Fluorophenyl)-7-bicyclo[2.2.2]octanyl]methyl-dimethylazaniumchloride, [(2R)-3-(4-fluorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride, BICYCLO(2.2.2)OCTANE-2-METHYLAMINE, N,N-DIMETHYL-3-(p-FLUOROPHENYL)-, HYDROCHLOR
| Molecular Formula | C17H25ClFN |
|---|---|
| Molecular Weight | 297.17 g/mol |
| LogP | -0.51 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.16595 |
| Heavy Atoms | 20 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 69725-25-3 |
|---|---|
| SMILES | C[NH+](C)C[C@@H]1C2CCC(C1C3=CC=C(C=C3)F)CC2.[Cl-] |
| InChIKey | UMLCCPKKAFXBBH-YXRIWLDLSA-N |
Product Overview
RefChem:1079788 (CAS 69725-25-3), with molecular formula C17H25ClFN and molecular weight 297.17 g/mol. IUPAC: [(2R)-3-(4-fluorophenyl)-2-bicyclo[2.2.2]octanyl]methyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:1079788
Property Insights of RefChem:1079788
The XLogP value of -0.51 indicates that RefChem:1079788 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 4.4 Ų, RefChem:1079788 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079788 has 1 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 RefChem:1079788?
The CAS number of RefChem:1079788 is 69725-25-3.
What is the molecular formula of RefChem:1079788?
The molecular formula of RefChem:1079788 is C17H25ClFN.
What is the molecular weight of RefChem:1079788?
The molecular weight of RefChem:1079788 is 297.17 g/mol.
Where can I buy RefChem:1079788?
You can request a quote for RefChem:1079788 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079788?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079788 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.