RefChem:579067
TL;DR: RefChem:579067 (CAS 67800-99-1) is a chemical compound with molecular formula C56H67CuN11O6S3 and molecular weight 1148.37 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-hexabutyl-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31,33,35-nonadecaene-5,17,25-trisulfonamide
Also Known As: Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, Copper, (N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyaninetrisulfonamidato(2-)-N29,N30,N31,N32)-, Copper, [N,N,N',N',N'',N''-hexabutyl-29H,31H-phthalocyanine-C,C,C-trisulfonamidato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, [n,N,N',N',N'',N''-Hexabutyl-29H,31H-phthalocyaninetrisulfonamidato(2-)-n29,n30,n31,n32]copper, (N,N,N',N',N'',N''-Hexabutyl-29H,31H-phthalocyaninetrisulphonamidato(2-)-N29,N30,N31,N32)copper
| Molecular Formula | C56H67CuN11O6S3 |
|---|---|
| Molecular Weight | 1148.37 g/mol |
| LogP | 10.8976 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 24 |
| Exact Mass | 1148.3734 |
| Heavy Atoms | 77 |
| Complexity | 2140.0 |
Chemical Identifiers
| CAS Number | 67800-99-1 |
|---|---|
| SMILES | CCCCN(CCCC)S(=O)(=O)C1=CC2=C3[N-]C(=C2C=C1)N=C4C5=C(C=CC=C5S(=O)(=O)N(CCCC)CCCC)C(=N4)N=C6C7=C(C(=CC=C7)S(=O)(=O)N(CCCC)CCCC)C(=NC8=NC(=N3)C9=CC=CC=C98)[N-]6.[Cu+2] |
| InChIKey | HJHOLSADRBKEPI-UHFFFAOYSA-N |
Product Overview
RefChem:579067 (CAS 67800-99-1), with molecular formula C56H67CuN11O6S3 and molecular weight 1148.37 g/mol. IUPAC: copper 5-N,5-N,17-N,17-N,25-N,25-N-hexabutyl-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31,33,35-nonadecaene-5,17,25-trisulfonamide.
Chemical Property Profile of RefChem:579067
Property Insights of RefChem:579067
The XLogP value of 10.8976 indicates that RefChem:579067 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting RefChem:579067 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579067 has 0 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579067?
The CAS number of RefChem:579067 is 67800-99-1.
What is the molecular formula of RefChem:579067?
The molecular formula of RefChem:579067 is C56H67CuN11O6S3.
What is the molecular weight of RefChem:579067?
The molecular weight of RefChem:579067 is 1148.37 g/mol.
Where can I buy RefChem:579067?
You can request a quote for RefChem:579067 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579067?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579067 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.