RefChem:900448
TL;DR: RefChem:900448 (CAS 69121-24-0) is a chemical compound with molecular formula C20H7ClCuF2N5Na3O11S3 and molecular weight 793.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;trisodium;3-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-oxido-5-sulfonatophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate
Also Known As: Cuprate(3-), (3-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(5-))-, trisodium, Cuprate(3-), (3-(2-(3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(5-))-, sodium (1:3), (3-((3-((5-Chloro-2,4-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulfophenyl)azo)-4-hydroxy-2,7-naphthalenedisulfonato-O2,O4)copper, trisodium salt, Cuprate(3-), [3-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-(hydroxy-.kappa.O)-5-sulfophenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(5-)]-, trisodium, Trisodium (3-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-hydroxy-5-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonato(5-))cuprate(3-)
| Molecular Formula | C20H7ClCuF2N5Na3O11S3 |
|---|---|
| Molecular Weight | 793.79 g/mol |
| LogP | -7.4106 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 4 |
| Exact Mass | 793.795 |
| Heavy Atoms | 46 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 69121-24-0 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC3=CC(=CC(=C3[O-])NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | CXTGKRKUENFNDN-UHFFFAOYSA-I |
Product Overview
RefChem:900448 (CAS 69121-24-0), with molecular formula C20H7ClCuF2N5Na3O11S3 and molecular weight 793.79 g/mol. IUPAC: copper;trisodium;3-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-oxido-5-sulfonatophenyl]diazenyl]-4-oxidonaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:900448
Property Insights of RefChem:900448
The XLogP value of -7.4106 indicates that RefChem:900448 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 305.0 Ų indicates high polarity, suggesting RefChem:900448 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:900448 has 1 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:900448?
The CAS number of RefChem:900448 is 69121-24-0.
What is the molecular formula of RefChem:900448?
The molecular formula of RefChem:900448 is C20H7ClCuF2N5Na3O11S3.
What is the molecular weight of RefChem:900448?
The molecular weight of RefChem:900448 is 793.79 g/mol.
Where can I buy RefChem:900448?
You can request a quote for RefChem:900448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:900448?
Yes, KEHONG BIO provides custom synthesis services for RefChem:900448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.