Copper tetra-4-tert-butylphthalocyanine
TL;DR: Copper tetra-4-tert-butylphthalocyanine (CAS 39001-64-4) is a chemical compound with molecular formula C48H48CuN8 and molecular weight 799.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper 6,15,24,33-tetratert-butyl-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
Also Known As: Copper tetra-4-tert-butylphthalocyanine, 4,4',4'',4'''-Tetra-tert-butylphthalocyanine Copper(II), (TETRA-T-BUTYLPHTHALOCYANINATO)COPPER(II), 4,4,4,4-TETRA-TERT-BUTYLPHTHALOCYANINE COPPER, Copper(II) 2,9,16,23-Tetra-tert-butylphthalocyanine
| Molecular Formula | C48H48CuN8 |
|---|---|
| Molecular Weight | 799.33 g/mol |
| LogP | 11.3149 |
| Topological Polar Surface Area | 105.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 799.3298 |
| Heavy Atoms | 57 |
| Complexity | 2757.7566 |
Chemical Identifiers
| CAS Number | 39001-64-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.[Cu+2] |
Product Overview
Copper tetra-4-tert-butylphthalocyanine (CAS 39001-64-4), with molecular formula C48H48CuN8 and molecular weight 799.33 g/mol. IUPAC: copper 6,15,24,33-tetratert-butyl-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.
Chemical Property Profile of Copper tetra-4-tert-butylphthalocyanine
Property Insights of Copper tetra-4-tert-butylphthalocyanine
The XLogP value of 11.3149 indicates that Copper tetra-4-tert-butylphthalocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper tetra-4-tert-butylphthalocyanine. Following Lipinski's Rule of Five, Copper tetra-4-tert-butylphthalocyanine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Copper tetra-4-tert-butylphthalocyanine?
The CAS number of Copper tetra-4-tert-butylphthalocyanine is 39001-64-4.
What is the molecular formula of Copper tetra-4-tert-butylphthalocyanine?
The molecular formula of Copper tetra-4-tert-butylphthalocyanine is C48H48CuN8.
What is the molecular weight of Copper tetra-4-tert-butylphthalocyanine?
The molecular weight of Copper tetra-4-tert-butylphthalocyanine is 799.33 g/mol.
Where can I buy Copper tetra-4-tert-butylphthalocyanine?
You can request a quote for Copper tetra-4-tert-butylphthalocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copper tetra-4-tert-butylphthalocyanine?
Yes, KEHONG BIO provides custom synthesis services for Copper tetra-4-tert-butylphthalocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.