RefChem:118318
TL;DR: RefChem:118318 (CAS 70209-93-7) is a chemical compound with molecular formula C34H19ClN8Na4O12S4 and molecular weight 985.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[[8-[[4-chloro-6-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]benzoate
Also Known As: 2-8-4-chloro-6-4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenylamino-1,3,5-triazin-2-ylamino-1-hydroxy-3,6-bis ulphonato-2-naphthylazobenzoate (sodium salt), Tetrasodium;2-[[8-[[4-chloro-6-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]benzoate, 2-((8-((4-Chloro-6-((4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)benzoic acid, tetrasodium salt, Benzoic acid, 2-((8-((4-chloro-6-((4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, tetrasodium salt, Benzoic acid, 2-(2-(8-((4-chloro-6-((4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)
| Molecular Formula | C34H19ClN8Na4O12S4 |
|---|---|
| Molecular Weight | 985.93 g/mol |
| LogP | -7.04 |
| Topological Polar Surface Area | 386.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 7 |
| Exact Mass | 985.92847 |
| Heavy Atoms | 63 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 70209-93-7 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)Cl)NC5=C6C(=CC(=C5)S(=O)(=O)[O-])C=C(C(=C6O)N=NC7=CC=CC=C7C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | HMGBQRTWANMSHV-UHFFFAOYSA-J |
Product Overview
RefChem:118318 (CAS 70209-93-7), with molecular formula C34H19ClN8Na4O12S4 and molecular weight 985.93 g/mol. IUPAC: tetrasodium;2-[[8-[[4-chloro-6-[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)anilino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfonatonaphthalen-2-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:118318
Property Insights of RefChem:118318
The XLogP value of -7.04 indicates that RefChem:118318 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.0 Ų indicates high polarity, suggesting RefChem:118318 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118318 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118318?
The CAS number of RefChem:118318 is 70209-93-7.
What is the molecular formula of RefChem:118318?
The molecular formula of RefChem:118318 is C34H19ClN8Na4O12S4.
What is the molecular weight of RefChem:118318?
The molecular weight of RefChem:118318 is 985.93 g/mol.
Where can I buy RefChem:118318?
You can request a quote for RefChem:118318 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118318?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.