2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine
TL;DR: 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine (CAS 58687-99-3) is a chemical compound with molecular formula C64H58N8 and molecular weight 938.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,21,34,47-tetratert-butyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30(39),31,33,35,37,40(54),41,43(52),44,46,48,50-heptacosaene
Also Known As: 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine, 8,21,34,47-Tetratert-butyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30(39),31,33,35,37,40(54),41,43(52),44,46,48,50-heptacosaene, [1~1~(2)Z,1~3~(8)Z,4(5~1~)Z,6(7~1~)Z]-1~6~,3~7~,5~7~,7~7~-Tetra-tert-butyl-1~2~H,3~2~H-2,4,6,8-tetraaza-1,3,5,7(1,3)-tetra(benzo[f]isoindola)cyclooctaphane-1,4,6,8-tetraene, 9,22,35,48-tetra-tert-butyl-2,15,28,41,53,54,55,56-octaazatridecacyclo[40.10.1.1(3),(1)?.1(1)?,(2)?.1(2)?,??.0?,(1)(3).0?,(1)(1).0(1)?,(2)?.0(1)?,(2)?.0(3)?,(3)?.0(3)(2),(3)?.0?(3),?(2).0??,??]hexapentaconta-1,3,5,7,9,11,13,15,17(26),18,20,22,24,27,29(54),30(39),31,33,35,37,40,42(53),43(52),44,46,48,50-heptacosaene
| Molecular Formula | C64H58N8 |
|---|---|
| Molecular Weight | 938.48 g/mol |
| LogP | 16.672 |
| Topological Polar Surface Area | 108.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 938.47845 |
| Heavy Atoms | 72 |
| Complexity | 4370.1597 |
Chemical Identifiers
| CAS Number | 58687-99-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=CC3=C(C=C2C=C1)C4=NC5=C6C=C7C=C(C=CC7=CC6=C(N5)N=C8C9=C(C=C1C=CC(=CC1=C9)C(C)(C)C)C(=N8)N=C1C2=C(C=C5C=CC(=CC5=C2)C(C)(C)C)C(=N1)N=C3N4)C(C)(C)C |
Product Overview
2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine (CAS 58687-99-3), with molecular formula C64H58N8 and molecular weight 938.48 g/mol. IUPAC: 8,21,34,47-tetratert-butyl-2,15,28,41,53,54,55,56-octazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30(39),31,33,35,37,40(54),41,43(52),44,46,48,50-heptacosaene.
Chemical Property Profile of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine
Property Insights of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine
The XLogP value of 16.672 indicates that 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine. Following Lipinski's Rule of Five, 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine has 2 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 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine?
The CAS number of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine is 58687-99-3.
What is the molecular formula of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine?
The molecular formula of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine is C64H58N8.
What is the molecular weight of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine?
The molecular weight of 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine is 938.48 g/mol.
Where can I buy 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine?
You can request a quote for 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine?
Yes, KEHONG BIO provides custom synthesis services for 2,11,20,29-Tetra-tert-butyl-2,3-naphthalocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.