CAS RN: 155773-71-0
NI(II)-1,4,8,11,15,18,22,25-OCTABUTOXY- PHTHALOCYANINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251014 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS155773-71-0
- Purity/Analytical Methods: >99.0%
155773-71-0 / 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
Basic Information
CAS
155773-71-0
Multi CAS
No
Molecular Formula
C64H80N8NiO8
Molecular Weight
1148.100000
Exact Mass
1146.545253
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]
InChI
InChI=1S/C64H80N8O8.Ni/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;/h25-32H,9-24,33-40H2,1-8H3;/q-2;+2
InChIKey
JFVRZEMMDHQJPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
81
Aromatic heavy atom count
40
Fraction Csp3
0.5
Rotatable bonds
32
H-bond acceptors
14
Molar refractivity
317.22
TPSA
179.38
LogP / Solubility
WLOGP
15.56
MLOGP
13.8
XLogP3
15.56
Consensus LogP
14.97
Log S (ESOL)
-15.01
Class (ESOL)
Insoluble
Log S (Ali)
-20.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-23.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.32
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
STARBURST(R) (PAMAM) DENDRIMER, GENERATION O
- CAS RN: 155773-72-1
- Product Code: starshine_CAS155773-72-1
- Purity/Analytical method: >99.0%
-
1-methyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
- CAS RN: 155778-83-9
- Product Code: SSC-065040
-
-
(5-BROMO-4-METHYL-3-NITRO-PYRIDIN-2-YL)-METHYL-AMINE
- CAS RN: 155790-01-5
- Product Code: SSC-065053
-
-
6-Quinolinamine, 5-(trifluoromethyl)-
- CAS RN: 155793-47-8
- Product Code: starshine_CAS155793-47-8
- Purity/Analytical method: >99.0%
![CAS 155778-83-9 1-methyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155778-83-9.gif)
