YM-53601?
TL;DR: YM-53601? (CAS 182959-33-7) is a chemical compound with molecular formula C21H22ClFN2O and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride
Also Known As: YM-53601?, 2-[2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride, (E)-2-[2-(1-Azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole hydrochloride, (E)-2-(2-Fluoro-2-(quinuclidin-3-ylidene)ethoxy)-9H-carbazole hydrochloride, 2-[2-(1-azabicyclo[2.2.2]oct-3-ylidene)-2-fluoro-ethoxy]-9H-carbazole Hydrochloride
| Molecular Formula | C21H22ClFN2O |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 5.0709 |
| Topological Polar Surface Area | 28.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.14047 |
| Heavy Atoms | 26 |
| Complexity | 972.4661 |
Chemical Identifiers
| CAS Number | 182959-33-7 |
|---|---|
| SMILES | C1CN2CCC1C(=C(COC3=CC4=C(C=C3)C5=CC=CC=C5N4)F)C2.Cl |
Product Overview
YM-53601? (CAS 182959-33-7), with molecular formula C21H22ClFN2O and molecular weight 372.14 g/mol. IUPAC: 2-[2-(1-azabicyclo[2.2.2]octan-3-ylidene)-2-fluoroethoxy]-9H-carbazole;hydrochloride.
Chemical Property Profile of YM-53601?
Property Insights of YM-53601?
The XLogP value of 5.0709 indicates that YM-53601? is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.26 Ų, YM-53601? exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, YM-53601? has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of YM-53601??
The CAS number of YM-53601? is 182959-33-7.
What is the molecular formula of YM-53601??
The molecular formula of YM-53601? is C21H22ClFN2O.
What is the molecular weight of YM-53601??
The molecular weight of YM-53601? is 372.14 g/mol.
Where can I buy YM-53601??
You can request a quote for YM-53601? directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YM-53601??
Yes, KEHONG BIO provides custom synthesis services for YM-53601? and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.