RefChem:79863
TL;DR: RefChem:79863 (CAS 16249-87-9) is a chemical compound with molecular formula C27H14N2Na2O7S2 and molecular weight 588.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate
Also Known As: Disodium 2-(6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl)-1,3-dioxoindan-5-carboxylate, 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, disodium salt, 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-(6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl)-1,3-dioxo-, sodium salt (1:2), 1H-Indene-5-carboxylic acid, 2,3-dihydro-2-[6-(6-methyl-7-sulfo-2-benzothiazolyl)-2-quinolinyl]-1,3-dioxo-, sodium salt (1:2), disodium 2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindane-5-carboxylate
| Molecular Formula | C27H14N2Na2O7S2 |
|---|---|
| Molecular Weight | 588.00 g/mol |
| LogP | -2.74 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 588.0038 |
| Heavy Atoms | 40 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 16249-87-9 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | OUZJHSOHERXFRU-UHFFFAOYSA-L |
Product Overview
RefChem:79863 (CAS 16249-87-9), with molecular formula C27H14N2Na2O7S2 and molecular weight 588.00 g/mol. IUPAC: disodium;2-[6-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)quinolin-2-yl]-1,3-dioxoindene-5-carboxylate.
Chemical Property Profile of RefChem:79863
Property Insights of RefChem:79863
The XLogP value of -2.74 indicates that RefChem:79863 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 194.0 Ų indicates high polarity, suggesting RefChem:79863 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79863 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79863?
The CAS number of RefChem:79863 is 16249-87-9.
What is the molecular formula of RefChem:79863?
The molecular formula of RefChem:79863 is C27H14N2Na2O7S2.
What is the molecular weight of RefChem:79863?
The molecular weight of RefChem:79863 is 588.00 g/mol.
Where can I buy RefChem:79863?
You can request a quote for RefChem:79863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.