RefChem:579002
TL;DR: RefChem:579002 (CAS 28802-09-7) is a chemical compound with molecular formula C32H12Cl4CuN8O8S4 and molecular weight 966.77 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonyl chloride
Also Known As: Phthalocyaninetetrasulfonyl chloride, copper(II) complex, Copper, (29H,31H-phthalocyanine-2,9,16,23-tetrasulfonyl tetrachloridato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (SP-4-1)-, [29h,31H-Phthalocyanine-2,9,16,23-tetrasulfonyl tetrachloridato(2-)-n29,n30,n31,n32]copper, Copper, [29H,31H-phthalocyanine-2,9,16,23-tetrasulfonyl tetrachloridato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-, (29H,31H-Phthalocyanine-2,9,16,23-tetrasulphonyl tetrachloridato(2-)-N29,N30,N31,N32)copper
| Molecular Formula | C32H12Cl4CuN8O8S4 |
|---|---|
| Molecular Weight | 966.77 g/mol |
| LogP | 5.8349 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 4 |
| Exact Mass | 966.7711 |
| Heavy Atoms | 57 |
| Complexity | 1690.0 |
Chemical Identifiers
| CAS Number | 28802-09-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)Cl)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)S(=O)(=O)Cl)C(=N7)N=C2[N-]3)S(=O)(=O)Cl)C9=C4C=CC(=C9)S(=O)(=O)Cl.[Cu+2] |
| InChIKey | YODSSZDYIJQXGP-UHFFFAOYSA-N |
Product Overview
RefChem:579002 (CAS 28802-09-7), with molecular formula C32H12Cl4CuN8O8S4 and molecular weight 966.77 g/mol. IUPAC: copper 2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene-6,15,24,33-tetrasulfonyl chloride.
Chemical Property Profile of RefChem:579002
Property Insights of RefChem:579002
The XLogP value of 5.8349 indicates that RefChem:579002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting RefChem:579002 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579002 has 0 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:579002?
The CAS number of RefChem:579002 is 28802-09-7.
What is the molecular formula of RefChem:579002?
The molecular formula of RefChem:579002 is C32H12Cl4CuN8O8S4.
What is the molecular weight of RefChem:579002?
The molecular weight of RefChem:579002 is 966.77 g/mol.
Where can I buy RefChem:579002?
You can request a quote for RefChem:579002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579002?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.