CTK4G3591
TL;DR: CTK4G3591 (CAS 29637-13-6) is a chemical compound with molecular formula C23H24N2O3S2 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butane-2-sulfonate
Also Known As: EINECS 249-741-3, 1-Ethyl-2-[[3-(3-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]quinolinium, inner salt, 1-Ethyl-2-((3-(3-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)quinolinium, inner salt, 1-ethyl-2-[[3-(3-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]quinolinium, Quinolinium, 1-ethyl-2-((3-(3-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt
| Molecular Formula | C23H24N2O3S2 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 4.3817 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.12283 |
| Heavy Atoms | 30 |
| Complexity | 1222.1002 |
Chemical Identifiers
| CAS Number | 29637-13-6 |
|---|---|
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C=C3N(C4=CC=CC=C4S3)CCC(C)S(=O)(=O)[O-] |
Product Overview
CTK4G3591 (CAS 29637-13-6), with molecular formula C23H24N2O3S2 and molecular weight 440.12 g/mol. IUPAC: 4-[2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]butane-2-sulfonate.
Chemical Property Profile of CTK4G3591
Property Insights of CTK4G3591
The XLogP value of 4.3817 indicates that CTK4G3591 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4G3591. Following Lipinski's Rule of Five, CTK4G3591 has 0 hydrogen bond donor(s) and 5 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 CTK4G3591?
The CAS number of CTK4G3591 is 29637-13-6.
What is the molecular formula of CTK4G3591?
The molecular formula of CTK4G3591 is C23H24N2O3S2.
What is the molecular weight of CTK4G3591?
The molecular weight of CTK4G3591 is 440.12 g/mol.
Where can I buy CTK4G3591?
You can request a quote for CTK4G3591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4G3591?
Yes, KEHONG BIO provides custom synthesis services for CTK4G3591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.