RefChem:1079786
TL;DR: RefChem:1079786 (CAS 69725-26-4) is a chemical compound with molecular formula C16H23BrClN and molecular weight 343.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride
Also Known As: (E)-2-(p-Bromophenyl)-3-(methylaminomethyl)bicyclo(2.2.2)octane, hydrochloride, Bicyclo(2.2.2)octane-2-methylamine, 3-(p-bromophenyl)-N-methyl-, hydrochloride, (E)-, [(7R)-8-(4-Bromophenyl)-7-bicyclo[2.2.2]octanyl]methyl-methylazaniumchloride, [(2R)-3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride, BICYCLO(2.2.2)OCTANE-2-METHYLAMINE, 3-(p-BROMOPHENYL)-N-METHYL-, HYDROCHLORIDE,
| Molecular Formula | C16H23BrClN |
|---|---|
| Molecular Weight | 343.07 g/mol |
| LogP | 0.17 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.07025 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 69725-26-4 |
|---|---|
| SMILES | C[NH2+]C[C@@H]1C2CCC(C1C3=CC=C(C=C3)Br)CC2.[Cl-] |
| InChIKey | QTVXKUYKNKHQPH-UANRUKRJSA-N |
Product Overview
RefChem:1079786 (CAS 69725-26-4), with molecular formula C16H23BrClN and molecular weight 343.07 g/mol. IUPAC: [(2R)-3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride.
Chemical Property Profile of RefChem:1079786
Property Insights of RefChem:1079786
The XLogP value of 0.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1079786. With a topological polar surface area (TPSA) of 16.6 Ų, RefChem:1079786 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079786 has 1 hydrogen bond donor(s) and 1 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:1079786?
The CAS number of RefChem:1079786 is 69725-26-4.
What is the molecular formula of RefChem:1079786?
The molecular formula of RefChem:1079786 is C16H23BrClN.
What is the molecular weight of RefChem:1079786?
The molecular weight of RefChem:1079786 is 343.07 g/mol.
Where can I buy RefChem:1079786?
You can request a quote for RefChem:1079786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079786?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.