RefChem:438647
TL;DR: RefChem:438647 (CAS 10169-52-5) is a chemical compound with molecular formula C20H10ClNNa2O8S3 and molecular weight 568.9053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;[2-(9-chloro-3-sulfonatooxybenzo[g][1]benzothiol-2-yl)-1H-indol-3-yl] sulfate
Also Known As: C.I.73661, 1H-Indol-3-ol, 2-[9-chloro-3-(sulfooxy)naphtho[1,2-b]thien-2-yl]-, hydrogen sulfate (ester), disodium salt, Disodium 2-[9-chloro-3-(sulphonatooxy)naphtho[1,2-b]thien-2-yl]-1H-indol-3-yl sulphate, disodium 9-chloro-2-[3-(sulfonatooxy)-1h-indol-2-yl]naphtho[1,2-b]thiophen-3-yl sulfate, 1H-Indol-3-ol, 2-(9-chloro-3-(sulfooxy)naphtho(1,2-b)thien-2-yl)-, 3-(hydrogen sulfate), sodium salt (1:2)
Technical Specifications
| Molecular Formula | C20H10ClNNa2O8S3 |
| Molecular Weight | 568.9053 g/mol |
| XLogP | -1.46 |
| Topological Polar Surface Area (TPSA) | 194.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 568.9053 Da |
| Heavy Atoms | 35 |
| Complexity | 911.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(N2)C3=C(C4=C(S3)C5=C(C=CC=C5Cl)C=C4)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | VQNHJDZRCIAIHS-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:438647
Property Insights of RefChem:438647
The XLogP value of -1.46 indicates that RefChem:438647 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:438647 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:438647 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:438647?
The CAS number of RefChem:438647 is 10169-52-5.
What is the molecular formula of RefChem:438647?
The molecular formula of RefChem:438647 is C20H10ClNNa2O8S3.
What is the molecular weight of RefChem:438647?
The molecular weight of RefChem:438647 is 568.9053 g/mol.
Where can I buy RefChem:438647?
You can request a quote for RefChem:438647 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:438647?
Yes, CoreyChem provides custom synthesis services for RefChem:438647 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.