Nuclotixene
TL;DR: Nuclotixene (CAS 36471-43-9) is a chemical compound with molecular formula C21H20ClNS and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorothioxanthen-9-ylidene)methyl]-1-azabicyclo[2.2.2]octane
Also Known As: Nuclotixene, Nuclotixenum, Nuclotixene [INN], nuclotixeno, 3-((2-Chlorothioxanthen-9-ylidene)methyl)quinuclidine
| Molecular Formula | C21H20ClNS |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.1005 |
| Heavy Atoms | 24 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 36471-43-9 |
|---|---|
| SMILES | C1CN2CCC1C(C2)C=C3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl |
| InChIKey | FCXKKBQJIUTOHH-UHFFFAOYSA-N |
Product Overview
Nuclotixene (CAS 36471-43-9), with molecular formula C21H20ClNS and molecular weight 353.10 g/mol. IUPAC: 3-[(2-chlorothioxanthen-9-ylidene)methyl]-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of Nuclotixene
Property Insights of Nuclotixene
The XLogP value of 5.5 indicates that Nuclotixene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Nuclotixene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nuclotixene has 0 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 Nuclotixene?
The CAS number of Nuclotixene is 36471-43-9.
What is the molecular formula of Nuclotixene?
The molecular formula of Nuclotixene is C21H20ClNS.
What is the molecular weight of Nuclotixene?
The molecular weight of Nuclotixene is 353.10 g/mol.
Where can I buy Nuclotixene?
You can request a quote for Nuclotixene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nuclotixene?
Yes, KEHONG BIO provides custom synthesis services for Nuclotixene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.