RefChem:178301
TL;DR: RefChem:178301 (CAS 65168-09-4) is a chemical compound with molecular formula C24H26N2O6S3 and molecular weight 534.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-1-yl]propane-1-sulfonate
Also Known As: 2-[[5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-(3-sulfopropyl)quinolinium hydroxide, inner salt, 2-((5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt, Quinolinium, 2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)-, inner salt, Quinolinium, 2-[[5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-(3-sulfopropyl)-, inner salt, 1-(3-Sulfopropyl)-2-[3-(3-sulfopropyl)-5-methylbenzothiazole-2(3H)-ylidenemethyl]quinolinium
| Molecular Formula | C24H26N2O6S3 |
|---|---|
| Molecular Weight | 534.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.0953 |
| Heavy Atoms | 35 |
| Complexity | 945.0 |
Chemical Identifiers
| CAS Number | 65168-09-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=CC3=[N+](C4=CC=CC=C4C=C3)CCCS(=O)(=O)[O-])N2CCCS(=O)(=O)O |
| InChIKey | BSUPFFCHEVXXFV-UHFFFAOYSA-N |
Product Overview
RefChem:178301 (CAS 65168-09-4), with molecular formula C24H26N2O6S3 and molecular weight 534.10 g/mol. IUPAC: 3-[2-[[5-methyl-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]quinolin-1-ium-1-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:178301
Property Insights of RefChem:178301
The XLogP value of 3.5 indicates that RefChem:178301 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting RefChem:178301 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:178301 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 RefChem:178301?
The CAS number of RefChem:178301 is 65168-09-4.
What is the molecular formula of RefChem:178301?
The molecular formula of RefChem:178301 is C24H26N2O6S3.
What is the molecular weight of RefChem:178301?
The molecular weight of RefChem:178301 is 534.10 g/mol.
Where can I buy RefChem:178301?
You can request a quote for RefChem:178301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:178301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:178301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.