CTK0H6870
TL;DR: CTK0H6870 (CAS 18244-79-6) is a chemical compound with molecular formula C43H35N3O3S3 and molecular weight 737.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylbenzenesulfonate;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-(2-methyl-1H-indol-3-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole
Also Known As: 1-Methyl-2-(2-(2-methylindol-3-yl)-3-(1-methylnaphtho(1,2-d)thiazolin-2-ylidene)propenyl)naphtho(1,2-d)thiazolium p-toluenesulphonate, Naphtho[1,2-d]thiazolium, 1-methyl-2-[2-(2-methyl-1H-indol-3-yl)-3-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-propenyl]-, salt with 4-methylbenzenesulfonic acid (1:1), 1-Methyl-2-[2-(2-methyl-1H-indol-3-yl)-3-(1-methylnaphtho[1,2-d][1,3]thiazol-2(1H)-ylidene)prop-1-en-1-yl]naphtho[1,2-d][1,3]thiazol-1-ium 4-methylbenzene-1-sulfonate, 1-methyl-2-[2-(2-methylindol-3-yl)-3-(1-methylnaphtho[1,2-d]thiazolin-2-ylidene)propenyl]naphtho[1,2-d]thiazolium p-toluenesulphonate, Naphtho(1,2-d)thiazolium, 1-methyl-2-(2-(2-methyl-1H-indol-3-yl)-3-(1-methylnaphtho(1,2-d)thiazol-2(1H)-ylidene)-1-propen-1-yl)-, 4-methylbenzenesulfonate (1:1)
| Molecular Formula | C43H35N3O3S3 |
|---|---|
| Molecular Weight | 737.18 g/mol |
| LogP | 10.34514 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 737.1841 |
| Heavy Atoms | 52 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 18244-79-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C2=CC=CC=C2N1)C(=CC3=[N+](C4=C(S3)C=CC5=CC=CC=C54)C)C=C6N(C7=C(S6)C=CC8=CC=CC=C87)C |
| InChIKey | RNUJZWSIHJMVNV-UHFFFAOYSA-N |
Product Overview
CTK0H6870 (CAS 18244-79-6), with molecular formula C43H35N3O3S3 and molecular weight 737.18 g/mol. IUPAC: 4-methylbenzenesulfonate;1-methyl-2-[3-(1-methylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-(2-methyl-1H-indol-3-yl)prop-2-enylidene]benzo[e][1,3]benzothiazole.
Chemical Property Profile of CTK0H6870
Property Insights of CTK0H6870
The XLogP value of 10.34514 indicates that CTK0H6870 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting CTK0H6870 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK0H6870 has 1 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 CTK0H6870?
The CAS number of CTK0H6870 is 18244-79-6.
What is the molecular formula of CTK0H6870?
The molecular formula of CTK0H6870 is C43H35N3O3S3.
What is the molecular weight of CTK0H6870?
The molecular weight of CTK0H6870 is 737.18 g/mol.
Where can I buy CTK0H6870?
You can request a quote for CTK0H6870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK0H6870?
Yes, KEHONG BIO provides custom synthesis services for CTK0H6870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.