RefChem:72387
TL;DR: RefChem:72387 (CAS 75559-05-6) is a chemical compound with molecular formula C30H22ClN8Na3O13S4 and molecular weight 933.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azanium;trisodium;7-[[6-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,3,6-trisulfonate
Also Known As: 1,3,6-Naphthalenetrisulfonic acid, 7-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, monoammonium trisodium salt, 1,3,6-Naphthalenetrisulfonic acid, 7-(2-(6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, ammonium sodium salt (1:1:3), 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, ammonium sodium salt (1:1:3), 1,3,6-Naphthalenetrisulfonicacid,7-[2-[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-,ammonium sodium salt (1:1:3), Ammonium trisodium 7-((6-((4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,3,6-trisulphonate
| Molecular Formula | C30H22ClN8Na3O13S4 |
|---|---|
| Molecular Weight | 933.96 g/mol |
| LogP | -4.5315 |
| Topological Polar Surface Area | 362.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 6 |
| Exact Mass | 933.9571 |
| Heavy Atoms | 59 |
| Complexity | 1780.0 |
Chemical Identifiers
| CAS Number | 75559-05-6 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[NH4+].[Na+].[Na+].[Na+] |
| InChIKey | LBOZPVGWLZDDAI-UHFFFAOYSA-K |
Product Overview
RefChem:72387 (CAS 75559-05-6), with molecular formula C30H22ClN8Na3O13S4 and molecular weight 933.96 g/mol. IUPAC: azanium;trisodium;7-[[6-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,3,6-trisulfonate.
Chemical Property Profile of RefChem:72387
Property Insights of RefChem:72387
The XLogP value of -4.5315 indicates that RefChem:72387 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 362.0 Ų indicates high polarity, suggesting RefChem:72387 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72387 has 3 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72387?
The CAS number of RefChem:72387 is 75559-05-6.
What is the molecular formula of RefChem:72387?
The molecular formula of RefChem:72387 is C30H22ClN8Na3O13S4.
What is the molecular weight of RefChem:72387?
The molecular weight of RefChem:72387 is 933.96 g/mol.
Where can I buy RefChem:72387?
You can request a quote for RefChem:72387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72387?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.