![CAS 2250187-17-6 10-[4-[4,6-Di(adamantan-1-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenyl-9,10-dihydroacridine (purified by sublimation) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5746-jpgcontextbwfzdgvyfhjvb3r8mzy5oth8aw1hz2uvanblz3xoywmvagy3lzkwntk0odmxnty1mtavrdu3ndyuanbnfde3odkzzdy5mjblytbimwewywq1mmmyzdy1zwywnjy4nzdimti4ywi0ntq2zme3ndmzyzuyytk2n2nhy2y0nzy.jpeg)
CAS RN: 2250187-17-6
10-[4-[4,6-Di(adamantan-1-yl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenyl-9,10-dihydroacridine (purified by sublimation)
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.20260501 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTD5746
- Purity/Analytical Methods: >99.0%(HPLC)
2250187-17-6 / 10-[4-[4,6-bis(1-adamantyl)-1,3,5-triazin-2-yl]phenyl]-9,9-diphenylacridine
Basic Information
CAS
2250187-17-6
Multi CAS
No
Molecular Formula
C54H52N4
Molecular Weight
757.000000
Exact Mass
756.419198
SMILES
C1C2CC3CC1CC(C2)(C3)C4=NC(=NC(=N4)C5=CC=C(C=C5)N6C7=CC=CC=C7C(C8=CC=CC=C86)(C9=CC=CC=C9)C1=CC=CC=C1)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C54H52N4/c1-3-11-42(12-4-1)54(43-13-5-2-6-14-43)45-15-7-9-17-47(45)58(48-18-10-8-16-46(48)54)44-21-19-41(20-22-44)49-55-50(52-29-35-23-36(30-52)25-37(24-35)31-52)57-51(56-49)53-32-38-26-39(33-53)28-40(27-38)34-53/h1-22,35-40H,23-34H2
InChIKey
UGNYODYYYWKCFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
36
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
231.51
TPSA
41.91
LogP / Solubility
WLOGP
12.64
MLOGP
11.19
XLogP3
13.8
Consensus LogP
12.54
Log S (ESOL)
-12.56
Class (ESOL)
Insoluble
Log S (Ali)
-14.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.79
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)
1.64
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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