RefChem:417377
TL;DR: RefChem:417377 (CAS 70571-70-9) is a chemical compound with molecular formula C30H19FN7Na3O10S3 and molecular weight 821.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[6-[[4-fluoro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate
Also Known As: 1,5-Naphthalenedisulfonic acid, 2-((6-((4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt, 1,5-Naphthalenedisulfonic acid, 2-(2-(6-((4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3), 1,5-Naphthalenedisulfonic acid, 2-[[6-[[4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt, 1,5-Naphthalenedisulfonic acid, 2-[2-[6-[[4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3), Trisodium 2-((6-((4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate
| Molecular Formula | C30H19FN7Na3O10S3 |
|---|---|
| Molecular Weight | 821.00 g/mol |
| LogP | -4.3261 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 821.00323 |
| Heavy Atoms | 54 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 70571-70-9 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=C(C6=C(C=C5)C(=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])F.[Na+].[Na+].[Na+] |
| InChIKey | OZSZYYIHCQORMO-UHFFFAOYSA-K |
Product Overview
RefChem:417377 (CAS 70571-70-9), with molecular formula C30H19FN7Na3O10S3 and molecular weight 821.00 g/mol. IUPAC: trisodium;2-[[6-[[4-fluoro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate.
Chemical Property Profile of RefChem:417377
Property Insights of RefChem:417377
The XLogP value of -4.3261 indicates that RefChem:417377 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting RefChem:417377 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417377 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417377?
The CAS number of RefChem:417377 is 70571-70-9.
What is the molecular formula of RefChem:417377?
The molecular formula of RefChem:417377 is C30H19FN7Na3O10S3.
What is the molecular weight of RefChem:417377?
The molecular weight of RefChem:417377 is 821.00 g/mol.
Where can I buy RefChem:417377?
You can request a quote for RefChem:417377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417377?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.