CTK0H5088
TL;DR: CTK0H5088 (CAS 16249-86-8) is a chemical compound with molecular formula C26H16N2O5S2 and molecular weight 500.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CTK0H5088
2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: 2-(2-(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl)-6-methylbenzothiazole-7-sulphonic acid, 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid, 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonic acid, 2-[2-(1,3-dioxo-2,3-dihydro-1H-inden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid, 7-Benzothiazolesulfonic acid, 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolinyl]-6-methyl-
| Molecular Formula | C26H16N2O5S2 |
|---|---|
| Molecular Weight | 500.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 500.05005 |
| Heavy Atoms | 35 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 16249-86-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=CC=CC=C6C5=O)S(=O)(=O)O |
| InChIKey | VAKCCPVQFSLMDM-UHFFFAOYSA-N |
Product Overview
CTK0H5088 (CAS 16249-86-8), with molecular formula C26H16N2O5S2 and molecular weight 500.05 g/mol. IUPAC: 2-[2-(1,3-dioxoinden-2-yl)quinolin-6-yl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of CTK0H5088
Property Insights of CTK0H5088
The XLogP value of 4.6 indicates that CTK0H5088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.0 Ų indicates high polarity, suggesting CTK0H5088 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK0H5088 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 CTK0H5088?
The CAS number of CTK0H5088 is 16249-86-8.
What is the molecular formula of CTK0H5088?
The molecular formula of CTK0H5088 is C26H16N2O5S2.
What is the molecular weight of CTK0H5088?
The molecular weight of CTK0H5088 is 500.05 g/mol.
Where can I buy CTK0H5088?
You can request a quote for CTK0H5088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK0H5088?
Yes, KEHONG BIO provides custom synthesis services for CTK0H5088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.