RefChem:128806
TL;DR: RefChem:128806 (CAS 71566-22-8) is a chemical compound with molecular formula C32H22CuN10O6S2 and molecular weight 769.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diazanium;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-1,3,5,7,9,11,13,15,17,19(39),20,22(27),23,25,28,30(37),31,33,35-nonadecaene-6,24-disulfonate
Also Known As: Copper, (29H,31H-phthalocyanine-2,16-disulfonato(2-)-N29,N30,N31,N32)-, diammonium salt, Diammonium (29H,31H-phthalocyanine-2,16-disulphonato(4-)-N29,N30,N31,N32)cuprate(2-), Cuprate(2-), (29H,31H-phthalocyanine-2,16-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, ammonium (1:2), (SP-4-1)-, Cuprate(2-), (29H,31H-phthalocyanine-2,16-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, diammonium, (SP-4-1)-, Cuprate(2-), [29H,31H-phthalocyanine-2,16-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, diammonium, (SP-4-1)-
| Molecular Formula | C32H22CuN10O6S2 |
|---|---|
| Molecular Weight | 769.05 g/mol |
| LogP | 4.6855 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 769.04614 |
| Heavy Atoms | 51 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 71566-22-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NC4=C5C=CC(=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=C(C=C(C=C9)S(=O)(=O)[O-])C(=NC2=N3)[N-]8)S(=O)(=O)[O-].[NH4+].[NH4+].[Cu+2] |
| InChIKey | FYSONIIRGCLRCE-UHFFFAOYSA-N |
Product Overview
RefChem:128806 (CAS 71566-22-8), with molecular formula C32H22CuN10O6S2 and molecular weight 769.05 g/mol. IUPAC: diazanium;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-1,3,5,7,9,11,13,15,17,19(39),20,22(27),23,25,28,30(37),31,33,35-nonadecaene-6,24-disulfonate.
Chemical Property Profile of RefChem:128806
Property Insights of RefChem:128806
The XLogP value of 4.6855 indicates that RefChem:128806 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 213.0 Ų indicates high polarity, suggesting RefChem:128806 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:128806 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:128806?
The CAS number of RefChem:128806 is 71566-22-8.
What is the molecular formula of RefChem:128806?
The molecular formula of RefChem:128806 is C32H22CuN10O6S2.
What is the molecular weight of RefChem:128806?
The molecular weight of RefChem:128806 is 769.05 g/mol.
Where can I buy RefChem:128806?
You can request a quote for RefChem:128806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:128806?
Yes, KEHONG BIO provides custom synthesis services for RefChem:128806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.