RefChem:256127
TL;DR: RefChem:256127 (CAS 21206-72-4) is a chemical compound with molecular formula C23H30ClNO and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-azoniabicyclo[2.2.2]octan-2-yl)-1,1-diphenylbutan-1-ol chloride
Also Known As: 2-Azabicyclo(2.2.2)octane-2-propanol, beta-methyl-alpha,alpha-diphenyl-, hydrochloride, 1,1-Diphenyl-2-methyl-3-(2-azabicyclo(2.2.2)oct-2-yl)propanol hydrochloride, alpha-(2-(2-Azabicyclo(2.2.2)oct-2-yl)-1-methylethyl)benzhydrol hydrochloride, Benzhydrol, alpha-(2-(2-azabicyclo(2.2.2)oct-2-yl)-1-methylethyl)-, hydrochloride, 3-(7-Azoniabicyclo[2.2.2]octan-7-yl)-1,1-diphenylbutan-1-ol chloride
| Molecular Formula | C23H30ClNO |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 0.16 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.2016 |
| Heavy Atoms | 26 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 21206-72-4 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)[NH+]3CC4CCC3CC4.[Cl-] |
| InChIKey | ZRAQGWSMJBXNRL-UHFFFAOYSA-N |
Product Overview
RefChem:256127 (CAS 21206-72-4), with molecular formula C23H30ClNO and molecular weight 371.20 g/mol. IUPAC: 3-(2-azoniabicyclo[2.2.2]octan-2-yl)-1,1-diphenylbutan-1-ol chloride.
Chemical Property Profile of RefChem:256127
Property Insights of RefChem:256127
The XLogP value of 0.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:256127. With a topological polar surface area (TPSA) of 24.7 Ų, RefChem:256127 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:256127 has 2 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:256127?
The CAS number of RefChem:256127 is 21206-72-4.
What is the molecular formula of RefChem:256127?
The molecular formula of RefChem:256127 is C23H30ClNO.
What is the molecular weight of RefChem:256127?
The molecular weight of RefChem:256127 is 371.20 g/mol.
Where can I buy RefChem:256127?
You can request a quote for RefChem:256127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:256127?
Yes, KEHONG BIO provides custom synthesis services for RefChem:256127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.