C23H24N2O6S3
TL;DR: C23H24N2O6S3 (CAS 65072-45-9) is a chemical compound with molecular formula C23H24N2O6S3 and molecular weight 520.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-1-yl]propane-1-sulfonate
Also Known As: 1-(3-Sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]quinolinium hydroxide, inner salt, 1-(3-Sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)quinolinium hydroxide, inner salt, Quinolinium, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, Quinolinium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, hydroxide, inner salt, Quinolinium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt
| Molecular Formula | C23H24N2O6S3 |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.07965 |
| Heavy Atoms | 34 |
| Complexity | 914.0 |
Chemical Identifiers
| CAS Number | 65072-45-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=[N+]2CCCS(=O)(=O)[O-])C=C3N(C4=CC=CC=C4S3)CCCS(=O)(=O)O |
| InChIKey | KPMOTKVHMBUWQP-UHFFFAOYSA-N |
Product Overview
C23H24N2O6S3 (CAS 65072-45-9), with molecular formula C23H24N2O6S3 and molecular weight 520.08 g/mol. IUPAC: 3-[2-[[3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of C23H24N2O6S3
Property Insights of C23H24N2O6S3
The XLogP value of 3.2 indicates that C23H24N2O6S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting C23H24N2O6S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H24N2O6S3 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H24N2O6S3?
The CAS number of C23H24N2O6S3 is 65072-45-9.
What is the molecular formula of C23H24N2O6S3?
The molecular formula of C23H24N2O6S3 is C23H24N2O6S3.
What is the molecular weight of C23H24N2O6S3?
The molecular weight of C23H24N2O6S3 is 520.08 g/mol.
Where can I buy C23H24N2O6S3?
You can request a quote for C23H24N2O6S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H24N2O6S3?
Yes, KEHONG BIO provides custom synthesis services for C23H24N2O6S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.