CAS RN: 1450933-44-4
N-(2-biphenyl)-N-(9,9-dimethylindol-2-yl)-9,9-spirobifluorene-4-amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251117 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1450933-44-4
- Purity/Analytical Methods: >99.0%
1450933-44-4 / N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
Basic Information
CAS
1450933-44-4
Multi CAS
No
Molecular Formula
C52H37N
Molecular Weight
675.900000
Exact Mass
675.292600
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C
InChI
InChI=1S/C52H37N/c1-51(2)42-24-11-6-20-37(42)40-32-31-35(33-47(40)51)53(48-29-15-10-19-36(48)34-17-4-3-5-18-34)49-30-16-28-46-50(49)41-23-9-14-27-45(41)52(46)43-25-12-7-21-38(43)39-22-8-13-26-44(39)52/h3-33H,1-2H3
InChIKey
NYRQYDOTDXVFCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
48
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
220.42
TPSA
3.24
LogP / Solubility
WLOGP
13.47
MLOGP
11.91
XLogP3
13.7
Consensus LogP
13.03
Log S (ESOL)
-12.92
Class (ESOL)
Insoluble
Log S (Ali)
-14.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.72
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Customers Also Viewed
-
-
Chloro(2-dicyclohexylphosphino-3,6-diMethoxy-2′,4′,6′-tri-i-propyl-1,1′-biphenyl)(2′-aMino-1,1′-biphenyl-2-yl)palladiuM(II), Min. 98% [BrettPhos Palladacycle]
- CAS RN: 1451002-39-3
- Product Code: SSC-056479
-
(2S)-6-[[(E)-but-2-enoyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
- CAS RN: 1451046-72-2
- Product Code: starshine_CAS1451046-72-2
- Purity/Analytical method: >99.0%
-
(1R,1’R)-1,1’-[(S)-[1,1’-Binaphthalene]-2,2’-diyl]bis(2-propen-1-ol)
- CAS RN: 1451057-19-4
- Product Code: SSC-056483
-
(alpha2R,alpha2’R,1S)-alpha2-Ethenyl-alpha2’-phenyl-[1,1’-binaphthalene]-2,2’-dimethanol
- CAS RN: 1451057-21-8
- Product Code: SSC-056484
-
(R)-7’-[(R)-Hydroxy(phenyl)methyl]-2,2’,3,3’-tetrahydro-1,1’-spirobi[inden]-7-ol
- CAS RN: 1451057-23-0
- Product Code: SSC-056485
.gif)
![CAS 1451002-39-3 Chloro(2-dicyclohexylphosphino-3,6-diMethoxy-2′,4′,6′-tri-i-propyl-1,1′-biphenyl)(2′-aMino-1,1′-biphenyl-2-yl)palladiuM(II), Min. 98% [BrettPhos Palladacycle] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451002-39-3.gif)
![CAS 1451046-72-2 (2S)-6-[[(E)-but-2-enoyl]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451046-72-2.gif)
![CAS 1451057-19-4 (1R,1’R)-1,1’-[(S)-[1,1’-Binaphthalene]-2,2’-diyl]bis(2-propen-1-ol) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-19-4.gif)
![CAS 1451057-21-8 (alpha2R,alpha2’R,1S)-alpha2-Ethenyl-alpha2’-phenyl-[1,1’-binaphthalene]-2,2’-dimethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-21-8.gif)
![CAS 1451057-23-0 (R)-7’-[(R)-Hydroxy(phenyl)methyl]-2,2’,3,3’-tetrahydro-1,1’-spirobi[inden]-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1451057-23-0.gif)