1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt
TL;DR: 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt (CAS 155773-71-0) is a chemical compound with molecular formula C64H80N8NiO8 and molecular weight 1146.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nickel(2+);5,8,14,17,23,26,32,35-octabutoxy-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),20,22,24,26,28,30(37),31,33,35-nonadecaene
Also Known As: 773O710, 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt, Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine, Nickel(2+);5,8,14,17,23,26,32,35-octabutoxy-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),20,22,24,26,28,30(37),31,33,35-nonadecaene, Nickel(II) 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine, Dye content 97 %
| Molecular Formula | C64H80N8NiO8 |
|---|---|
| Molecular Weight | 1146.55 g/mol |
| LogP | 15.5561 |
| Topological Polar Surface Area | 179.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 32 |
| Exact Mass | 1146.5453 |
| Heavy Atoms | 81 |
| Complexity | 2966.3467 |
Chemical Identifiers
| CAS Number | 155773-71-0 |
|---|---|
| SMILES | CCCCOC1=C2C(=C(C=C1)OCCCC)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C([N-]5)N=C7C8=C(C=CC(=C8C(=N7)N=C2[N-]3)OCCCC)OCCCC)OCCCC)OCCCC)C9=C(C=CC(=C94)OCCCC)OCCCC.[Ni+2] |
Product Overview
1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt (CAS 155773-71-0), with molecular formula C64H80N8NiO8 and molecular weight 1146.55 g/mol. IUPAC: nickel(2+);5,8,14,17,23,26,32,35-octabutoxy-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),20,22,24,26,28,30(37),31,33,35-nonadecaene.
Chemical Property Profile of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt
Property Insights of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt
The XLogP value of 15.5561 indicates that 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 179.38 Ų indicates high polarity, suggesting 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt has 0 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 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt?
The CAS number of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt is 155773-71-0.
What is the molecular formula of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt?
The molecular formula of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt is C64H80N8NiO8.
What is the molecular weight of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt?
The molecular weight of 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt is 1146.55 g/mol.
Where can I buy 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt?
You can request a quote for 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt?
Yes, KEHONG BIO provides custom synthesis services for 1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine nickel(II) salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.