RefChem:105828
TL;DR: RefChem:105828 (CAS 6417-31-8) is a chemical compound with molecular formula C33H23N6Na3O12S4 and molecular weight 892.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[4-[[6-[(4-acetamidophenyl)carbamoylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate
Also Known As: Trisodium;2-[4-[[6-[(4-acetamidophenyl)carbamoylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate, 4-{[4-(1-NAPHTHYLDIAZENYL)-1-NAPHTHYL]DIAZENYL}NAPHTHALEN-1-AMINE, 7-Benzothiazolesulfonic acid, 2-(4-((6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-sulfophenyl)-6-methyl-, trisodium salt, 7-Benzothiazolesulfonic acid, 2-(4-(2-(6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)-6-methyl-, sodium salt (1:3), 7-Benzothiazolesulfonic acid, 2-[4-[2-[6-[[[[4-(acetylamino)phenyl]amino]carbonyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-sulfophenyl]-6-methyl-, sodium salt (1:3)
| Molecular Formula | C33H23N6Na3O12S4 |
|---|---|
| Molecular Weight | 892.00 g/mol |
| LogP | -3.12738 |
| Topological Polar Surface Area | 353.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 891.995 |
| Heavy Atoms | 58 |
| Complexity | 1720.0 |
Chemical Identifiers
| CAS Number | 6417-31-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N=NC4=C(C=C5C=C(C=CC5=C4O)NC(=O)NC6=CC=C(C=C6)NC(=O)C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | JWFOTJIXWCVMRP-UHFFFAOYSA-K |
Product Overview
RefChem:105828 (CAS 6417-31-8), with molecular formula C33H23N6Na3O12S4 and molecular weight 892.00 g/mol. IUPAC: trisodium;2-[4-[[6-[(4-acetamidophenyl)carbamoylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-3-sulfonatophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate.
Chemical Property Profile of RefChem:105828
Property Insights of RefChem:105828
The XLogP value of -3.12738 indicates that RefChem:105828 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 353.0 Ų indicates high polarity, suggesting RefChem:105828 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:105828 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:105828?
The CAS number of RefChem:105828 is 6417-31-8.
What is the molecular formula of RefChem:105828?
The molecular formula of RefChem:105828 is C33H23N6Na3O12S4.
What is the molecular weight of RefChem:105828?
The molecular weight of RefChem:105828 is 892.00 g/mol.
Where can I buy RefChem:105828?
You can request a quote for RefChem:105828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:105828?
Yes, KEHONG BIO provides custom synthesis services for RefChem:105828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.