CAS RN: 1870041-75-0
DMAc-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.20260222 | 25mg / 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1870041-75-0
- Purity/Analytical Methods: >99.0%
1870041-75-0 / 10-[4-[6-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine
Basic Information
CAS
1870041-75-0
Multi CAS
No
Molecular Formula
C52H42N4
Molecular Weight
722.900000
Exact Mass
722.340947
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC=CC=C6)C7=CC=C(C=C7)N8C9=CC=CC=C9C(C1=CC=CC=C18)(C)C)C
InChI
InChI=1S/C52H42N4/c1-51(2)40-18-8-12-22-46(40)55(47-23-13-9-19-41(47)51)38-30-26-35(27-31-38)44-34-45(54-50(53-44)37-16-6-5-7-17-37)36-28-32-39(33-29-36)56-48-24-14-10-20-42(48)52(3,4)43-21-11-15-25-49(43)56/h5-34H,1-4H3
InChIKey
MFYOSKAZCVDONI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
48
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
231.96
TPSA
32.26
LogP / Solubility
WLOGP
13.7
MLOGP
12.12
XLogP3
13.4
Consensus LogP
13.07
Log S (ESOL)
-13.25
Class (ESOL)
Insoluble
Log S (Ali)
-15.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.33
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)
2.59
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5
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