RefChem:579741
TL;DR: RefChem:579741 (CAS 71735-57-4) is a chemical compound with molecular formula C20H10Cl3CuN5O11S3 and molecular weight 759.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;hydron;4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate
Also Known As: Cuprate(3-), (4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(5-))-, trihydrogen, Cuprate(3-), (4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN1)-5-((2,5,6-trichloro-4-pyrimidinyl)amino)-2,7-naphthalenedisulfonato(5-))-, hydrogen (1:3), copper; hydron; 4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate, Cuprate(3-), [4-(hydroxy-.kappa.O)-3-[[2-(hydroxy-.kappa.O)-5-sulfophenyl]azo-.kappa.N1]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-2,7-naphthalenedisulfonato(5-)]-, trihydrogen, Cuprate(3-), [4-(hydroxy-.kappa.O)-3-[2-[2-(hydroxy-.kappa.O)-5-sulfophenyl]diazenyl-.kappa.N1]-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]-2,7-naphthalenedisulfonato(5-)]-, hydrogen (1:3)
| Molecular Formula | C20H10Cl3CuN5O11S3 |
|---|---|
| Molecular Weight | 759.79 g/mol |
| LogP | 2.9435 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 759.79004 |
| Heavy Atoms | 43 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 71735-57-4 |
|---|---|
| SMILES | [H+].[H+].[H+].C1=CC(=C(C=C1S(=O)(=O)[O-])N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=C(C(=NC(=N4)Cl)Cl)Cl)[O-])[O-].[Cu+2] |
| InChIKey | RQTHMDOLCPISJZ-UHFFFAOYSA-L |
Product Overview
RefChem:579741 (CAS 71735-57-4), with molecular formula C20H10Cl3CuN5O11S3 and molecular weight 759.79 g/mol. IUPAC: copper;hydron;4-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]-5-[(2,5,6-trichloropyrimidin-4-yl)amino]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579741
Property Insights of RefChem:579741
The XLogP value of 2.9435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:579741. The TPSA of 305.0 Ų indicates high polarity, suggesting RefChem:579741 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579741 has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579741?
The CAS number of RefChem:579741 is 71735-57-4.
What is the molecular formula of RefChem:579741?
The molecular formula of RefChem:579741 is C20H10Cl3CuN5O11S3.
What is the molecular weight of RefChem:579741?
The molecular weight of RefChem:579741 is 759.79 g/mol.
Where can I buy RefChem:579741?
You can request a quote for RefChem:579741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579741?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.