(4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride
TL;DR: (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride (CAS 16142-83-9) is a chemical compound with molecular formula C14H20ClN and molecular weight 237.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride
Also Known As: EXP-561 monohydrate, Exp561, (1-phenyl-4-bicyclo[2.2.2]octanyl)azanium chloride, 4-Phenylbicyclo(2.2.2)octan-1-amine hydrochloride monohydrate, BICYCLO(2.2.2)OCTAN-1-AMINE, 4-PHENYL-, HYDROCHLORIDE, MONOHYDRATE
| Molecular Formula | C14H20ClN |
|---|---|
| Molecular Weight | 237.13 g/mol |
| LogP | -0.72 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.12843 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 16142-83-9 |
|---|---|
| SMILES | C1CC2(CCC1(CC2)C3=CC=CC=C3)[NH3+].[Cl-] |
| InChIKey | LTHJBDQSFIGMAZ-UHFFFAOYSA-N |
Product Overview
(4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride (CAS 16142-83-9), with molecular formula C14H20ClN and molecular weight 237.13 g/mol. IUPAC: (4-phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride.
Chemical Property Profile of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride
Property Insights of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride
The XLogP value of -0.72 indicates that (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.6 Ų, (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride 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 (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride?
The CAS number of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride is 16142-83-9.
What is the molecular formula of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride?
The molecular formula of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride is C14H20ClN.
What is the molecular weight of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride?
The molecular weight of (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride is 237.13 g/mol.
Where can I buy (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride?
You can request a quote for (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for (4-Phenyl-1-bicyclo[2.2.2]octanyl)azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.