Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide
TL;DR: Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide (CAS 85214-70-6) is a chemical compound with molecular formula C48H50N8O2Si and molecular weight 798.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,13,22,31-tetratert-butyl-38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene
Also Known As: Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide, SILICON 2 9 16 23-TETRA-TERT-BUTYL-29H, J3.328.479I, 4,13,22,31-tetratert-butyl-38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene, 4,4'-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis(benzenamine)
| Molecular Formula | C48H50N8O2Si |
|---|---|
| Molecular Weight | 798.38 g/mol |
| LogP | 8.546 |
| Topological Polar Surface Area | 124.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 798.3826 |
| Heavy Atoms | 59 |
| Complexity | 3163.9978 |
Chemical Identifiers
| CAS Number | 85214-70-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C3=NC4=C5C=C(C=CC5=C6N4[Si](N7C(=NC2=N3)C8=C(C7=NC9=NC(=N6)C1=C9C=CC(=C1)C(C)(C)C)C=C(C=C8)C(C)(C)C)(O)O)C(C)(C)C |
Product Overview
Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide (CAS 85214-70-6), with molecular formula C48H50N8O2Si and molecular weight 798.38 g/mol. IUPAC: 4,13,22,31-tetratert-butyl-38,38-dihydroxy-9,18,27,36,37,39,40,41-octaza-38-siladecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene.
Chemical Property Profile of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide
Property Insights of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide
The XLogP value of 8.546 indicates that Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide. Following Lipinski's Rule of Five, Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide?
The CAS number of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide is 85214-70-6.
What is the molecular formula of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide?
The molecular formula of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide is C48H50N8O2Si.
What is the molecular weight of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide?
The molecular weight of Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide is 798.38 g/mol.
Where can I buy Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide?
You can request a quote for Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide?
Yes, KEHONG BIO provides custom synthesis services for Silicon 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine dihydroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.