RefChem:88548
TL;DR: RefChem:88548 (CAS 72379-43-2) is a chemical compound with molecular formula C20H11ClF2N6Na2O7S2 and molecular weight 629.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;6-amino-3-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 6-amino-3-((4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4-hydroxy-, disodium salt, 2-Naphthalenesulfonic acid, 6-amino-3-(2-(4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:2), 6-Amino-3-((4-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-2-sulfophenyl)azo)-4-hydroxynaphthalene-2-sulfonic acid, disodium salt, 2-Naphthalenesulfonic acid, 6-amino-3-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt, 2-Naphthalenesulfonic acid, 6-amino-3-[2-[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)
| Molecular Formula | C20H11ClF2N6Na2O7S2 |
|---|---|
| Molecular Weight | 629.96 g/mol |
| LogP | -2.1756 |
| Topological Polar Surface Area | 240.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 4 |
| Exact Mass | 629.95825 |
| Heavy Atoms | 40 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 72379-43-2 |
|---|---|
| SMILES | C1=CC(=CC2=C(C(=C(C=C21)S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)[O-])O)N.[Na+].[Na+] |
| InChIKey | JLUPQARFMIVFGM-UHFFFAOYSA-L |
Product Overview
RefChem:88548 (CAS 72379-43-2), with molecular formula C20H11ClF2N6Na2O7S2 and molecular weight 629.96 g/mol. IUPAC: disodium;6-amino-3-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate.
Chemical Property Profile of RefChem:88548
Property Insights of RefChem:88548
The XLogP value of -2.1756 indicates that RefChem:88548 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.0 Ų indicates high polarity, suggesting RefChem:88548 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:88548 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:88548?
The CAS number of RefChem:88548 is 72379-43-2.
What is the molecular formula of RefChem:88548?
The molecular formula of RefChem:88548 is C20H11ClF2N6Na2O7S2.
What is the molecular weight of RefChem:88548?
The molecular weight of RefChem:88548 is 629.96 g/mol.
Where can I buy RefChem:88548?
You can request a quote for RefChem:88548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:88548?
Yes, KEHONG BIO provides custom synthesis services for RefChem:88548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.