Exciton
TL;DR: Exciton (CAS 76433-29-9) is a chemical compound with molecular formula C21H23ClN2O4S and molecular weight 434.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline perchlorate
Also Known As: Exciton, 7785-EP2270895A2, 7785-EP2278637A1, 7785-EP2292586A2, 7785-EP2295421A1
| Molecular Formula | C21H23ClN2O4S |
|---|---|
| Molecular Weight | 434.11 g/mol |
| LogP | 0.2453 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.10672 |
| Heavy Atoms | 29 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 76433-29-9 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O |
| InChIKey | FWTLKTVVDHEQMM-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Exciton (CAS 76433-29-9), with molecular formula C21H23ClN2O4S and molecular weight 434.11 g/mol. IUPAC: 4-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N,N-dimethylaniline perchlorate.
Chemical Property Profile of Exciton
Property Insights of Exciton
The XLogP value of 0.2453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exciton. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Exciton. Following Lipinski's Rule of Five, Exciton has 0 hydrogen bond donor(s) and 6 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 Exciton?
The CAS number of Exciton is 76433-29-9.
What is the molecular formula of Exciton?
The molecular formula of Exciton is C21H23ClN2O4S.
What is the molecular weight of Exciton?
The molecular weight of Exciton is 434.11 g/mol.
Where can I buy Exciton?
You can request a quote for Exciton directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Exciton?
Yes, KEHONG BIO provides custom synthesis services for Exciton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.