CAS RN: 2019165-21-8
DPAc-PPM
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.20250403 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2019165-21-8
- Purity/Analytical Methods: >99.0%
2019165-21-8 / 10-[4-[6-[4-(9,9-diphenylacridin-10-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-diphenylacridine
Basic Information
CAS
2019165-21-8
Multi CAS
No
Molecular Formula
C72H50N4
Molecular Weight
971.200000
Exact Mass
970.403548
SMILES
C1=CC=C(C=C1)C2=NC(=CC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5C(C6=CC=CC=C64)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=C(C=C9)N1C2=CC=CC=C2C(C2=CC=CC=C21)(C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C72H50N4/c1-6-24-53(25-7-1)70-73-64(51-42-46-58(47-43-51)75-66-38-20-16-34-60(66)71(54-26-8-2-9-27-54,55-28-10-3-11-29-55)61-35-17-21-39-67(61)75)50-65(74-70)52-44-48-59(49-45-52)76-68-40-22-18-36-62(68)72(56-30-12-4-13-31-56,57-32-14-5-15-33-57)63-37-19-23-41-69(63)76/h1-50H
InChIKey
JCMUXXJIZHBIJT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
72
Fraction Csp3
0.03
Rotatable bonds
9
H-bond acceptors
4
Molar refractivity
311.44
TPSA
32.26
LogP / Solubility
WLOGP
17.81
MLOGP
15.76
XLogP3
17.9
Consensus LogP
17.16
Log S (ESOL)
-17.19
Class (ESOL)
Insoluble
Log S (Ali)
-20.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.83
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)
4
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
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