![CAS 1628961-22-7 N2,N2′,N7,N7′ -Tetrakis(2-methoxyphenyl)-N2,N2′,N7,N7′ -tetrakis(4-methoxyphenyl)-9,9′-spirobi[fluorene]-2,2′,7,7′-tetraamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1628961-22-7.gif)
CAS RN: 1628961-22-7
N2,N2′,N7,N7′ -Tetrakis(2-methoxyphenyl)-N2,N2′,N7,N7′ -tetrakis(4-methoxyphenyl)-9,9′-spirobi[fluorene]-2,2′,7,7′-tetraamine
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.20260113 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1628961-22-7
- Purity/Analytical Methods: >99.0%
1628961-22-7 / 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
Basic Information
CAS
1628961-22-7
Multi CAS
No
Molecular Formula
C81H68N4O8
Molecular Weight
1225.400000
Exact Mass
1224.503715
SMILES
COC1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(C35C6=C(C=CC(=C6)N(C7=CC=C(C=C7)OC)C8=CC=CC=C8OC)C9=C5C=C(C=C9)N(C1=CC=C(C=C1)OC)C1=CC=CC=C1OC)C=C(C=C4)N(C1=CC=C(C=C1)OC)C1=CC=CC=C1OC)C1=CC=CC=C1OC
InChI
InChI=1S/C81H68N4O8/c1-86-61-37-25-53(26-38-61)82(73-17-9-13-21-77(73)90-5)57-33-45-65-66-46-34-58(83(54-27-39-62(87-2)40-28-54)74-18-10-14-22-78(74)91-6)50-70(66)81(69(65)49-57)71-51-59(84(55-29-41-63(88-3)42-30-55)75-19-11-15-23-79(75)92-7)35-47-67(71)68-48-36-60(52-72(68)81)85(56-31-43-64(89-4)44-32-56)76-20-12-16-24-80(76)93-8/h9-52H,1-8H3
InChIKey
KSSJBGNOJJETTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
93
Aromatic heavy atom count
72
Fraction Csp3
0.11
Rotatable bonds
20
H-bond acceptors
12
Molar refractivity
373.89
TPSA
86.8
LogP / Solubility
WLOGP
19.98
MLOGP
17.7
XLogP3
19.1
Consensus LogP
18.93
Log S (ESOL)
-19.28
Class (ESOL)
Insoluble
Log S (Ali)
-24.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-26.61
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.99
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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