RefChem:127911
TL;DR: RefChem:127911 (CAS 67801-00-7) is a chemical compound with molecular formula C64H84CuN12O8S4 and molecular weight 1339.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper 5-N,5-N,17-N,17-N,25-N,25-N,33-N,33-N-octabutyl-2,11,20,29,39,40-hexaza-37,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19(39),20,22(27),23,25,28,30,32,34-nonadecaene-5,17,25,33-tetrasulfonamide
Also Known As: Copper, (N,N,N',N',N'',N'',N''',N'''-octabutyl-29H,31H-phthalocyanine-C,C,C,C-tetrasulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, Copper, (N,N,N',N',N'',N'',N''',N'''-octabutyl-29H,31H-phthalocyaninetetrasulfonamidato(2-)-N29,N30,N31,N32)-, Copper, [N,N,N',N',N'',N'',N''',N'''-octabutyl-29H,31H-phthalocyanine-C,C,C,C-tetrasulfonamidato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, Copper(2+) 1,11,17,23-tetrakis(dibutylsulfamoyl)phthalocyanine-29,31-diide, (N,N,N',N',N'',N'',N''',N'''-Octabutyl-29H,31H-phthalocyaninetetrasulphonamidato(2-)-N29,N30,N31,N32)copper
| Molecular Formula | C64H84CuN12O8S4 |
|---|---|
| Molecular Weight | 1339.47 g/mol |
| LogP | 12.4885 |
| Topological Polar Surface Area | 262.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 32 |
| Exact Mass | 1339.4714 |
| Heavy Atoms | 89 |
| Complexity | 2400.0 |
Chemical Identifiers
| CAS Number | 67801-00-7 |
|---|---|
| SMILES | CCCCN(CCCC)S(=O)(=O)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=NC(=NC6=C7C=CC(=CC7=C([N-]6)N=C2[N-]3)S(=O)(=O)N(CCCC)CCCC)C8=C5C=CC=C8S(=O)(=O)N(CCCC)CCCC)C9=C4C(=CC=C9)S(=O)(=O)N(CCCC)CCCC.[Cu+2] |
| InChIKey | RLFMDMPIGJKDIE-UHFFFAOYSA-N |
Product Overview
RefChem:127911 (CAS 67801-00-7), with molecular formula C64H84CuN12O8S4 and molecular weight 1339.47 g/mol. IUPAC: copper 5-N,5-N,17-N,17-N,25-N,25-N,33-N,33-N-octabutyl-2,11,20,29,39,40-hexaza-37,38-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(36),2,4(9),5,7,10(40),11,13(18),14,16,19(39),20,22(27),23,25,28,30,32,34-nonadecaene-5,17,25,33-tetrasulfonamide.
Chemical Property Profile of RefChem:127911
Property Insights of RefChem:127911
The XLogP value of 12.4885 indicates that RefChem:127911 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 262.0 Ų indicates high polarity, suggesting RefChem:127911 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:127911 has 0 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:127911?
The CAS number of RefChem:127911 is 67801-00-7.
What is the molecular formula of RefChem:127911?
The molecular formula of RefChem:127911 is C64H84CuN12O8S4.
What is the molecular weight of RefChem:127911?
The molecular weight of RefChem:127911 is 1339.47 g/mol.
Where can I buy RefChem:127911?
You can request a quote for RefChem:127911 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:127911?
Yes, KEHONG BIO provides custom synthesis services for RefChem:127911 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.