C24H26N2O3S3
TL;DR: C24H26N2O3S3 (CAS 30457-66-0) is a chemical compound with molecular formula C24H26N2O3S3 and molecular weight 486.11 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]butane-1-sulfonate
Also Known As: 2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium, 2-(3-(3-Ethyl-3H-benzothiazol-2-ylidene)isobut-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium, Benzothiazolium, 2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-3-(4-sulfobutyl)-, inner salt
| Molecular Formula | C24H26N2O3S3 |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.11057 |
| Heavy Atoms | 32 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 30457-66-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CCCCS(=O)(=O)[O-])C |
| InChIKey | ZCJPIQRUDMDSMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C24H26N2O3S3 (CAS 30457-66-0), with molecular formula C24H26N2O3S3 and molecular weight 486.11 g/mol. IUPAC: 4-[2-[3-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate.
Chemical Property Profile of C24H26N2O3S3
Property Insights of C24H26N2O3S3
The XLogP value of 6.1 indicates that C24H26N2O3S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C24H26N2O3S3. Following Lipinski's Rule of Five, C24H26N2O3S3 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C24H26N2O3S3?
The CAS number of C24H26N2O3S3 is 30457-66-0.
What is the molecular formula of C24H26N2O3S3?
The molecular formula of C24H26N2O3S3 is C24H26N2O3S3.
What is the molecular weight of C24H26N2O3S3?
The molecular weight of C24H26N2O3S3 is 486.11 g/mol.
Where can I buy C24H26N2O3S3?
You can request a quote for C24H26N2O3S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C24H26N2O3S3?
Yes, KEHONG BIO provides custom synthesis services for C24H26N2O3S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.