RefChem:454887
TL;DR: RefChem:454887 (CAS 52525-55-0) is a chemical compound with molecular formula C24H26N2O4S3 and molecular weight 502.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butan-2-yl sulfate
Also Known As: ETHYLBENZOTHIAZOLYLIDENEMETHYLPROPENYL, ETHYLBENZOTHIAZOLYLIDENEMETHYLPROPENYL-&, 2-[3-(3-Ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propenyl]-3-[3-(sulfooxy)butyl]benzothiazolium hydroxide inner salt, ethylbenzothiazolylidenemethylpropenylsulfooxybutylbenzoth, 4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butan-2-yl sulfate
| Molecular Formula | C24H26N2O4S3 |
|---|---|
| Molecular Weight | 502.11 g/mol |
| LogP | 5.3211 |
| Topological Polar Surface Area | 73.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.10547 |
| Heavy Atoms | 33 |
| Complexity | 1328.4828 |
Chemical Identifiers
| CAS Number | 52525-55-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCC(C)OS(=O)(=O)[O-])C |
Product Overview
RefChem:454887 (CAS 52525-55-0), with molecular formula C24H26N2O4S3 and molecular weight 502.11 g/mol. IUPAC: 4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butan-2-yl sulfate.
Chemical Property Profile of RefChem:454887
Property Insights of RefChem:454887
The XLogP value of 5.3211 indicates that RefChem:454887 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.55 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:454887. Following Lipinski's Rule of Five, RefChem:454887 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:454887?
The CAS number of RefChem:454887 is 52525-55-0.
What is the molecular formula of RefChem:454887?
The molecular formula of RefChem:454887 is C24H26N2O4S3.
What is the molecular weight of RefChem:454887?
The molecular weight of RefChem:454887 is 502.11 g/mol.
Where can I buy RefChem:454887?
You can request a quote for RefChem:454887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:454887?
Yes, KEHONG BIO provides custom synthesis services for RefChem:454887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.