CAS RN: 2019165-20-7
DPAc-MPM
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.20260131 | 25mg / 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2019165-20-7
- Purity/Analytical Methods: >99.0%
2019165-20-7 / 10-[4-[6-[4-(9,9-diphenylacridin-10-yl)phenyl]-2-methylpyrimidin-4-yl]phenyl]-9,9-diphenylacridine
Basic Information
CAS
2019165-20-7
Multi CAS
No
Molecular Formula
C67H48N4
Molecular Weight
909.100000
Exact Mass
908.387898
SMILES
CC1=NC(=CC(=N1)C2=CC=C(C=C2)N3C4=CC=CC=C4C(C5=CC=CC=C53)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C(C1=CC=CC=C19)(C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C67H48N4/c1-47-68-60(48-38-42-54(43-39-48)70-62-34-18-14-30-56(62)66(50-22-6-2-7-23-50,51-24-8-3-9-25-51)57-31-15-19-35-63(57)70)46-61(69-47)49-40-44-55(45-41-49)71-64-36-20-16-32-58(64)67(52-26-10-4-11-27-52,53-28-12-5-13-29-53)59-33-17-21-37-65(59)71/h2-46H,1H3
InChIKey
RSUUGFVARVOIRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
71
Aromatic heavy atom count
66
Fraction Csp3
0.04
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
290.74
TPSA
32.26
LogP / Solubility
WLOGP
16.45
MLOGP
14.56
XLogP3
16.6
Consensus LogP
15.87
Log S (ESOL)
-16
Class (ESOL)
Insoluble
Log S (Ali)
-18.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.18
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)
3.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
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