CAS RN: 1784766-38-6
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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.20250405 | 25mg / 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1784766-38-6
- Purity/Analytical Methods: >99.0%
1784766-38-6 / 4,5-bis[4-(9,9-dimethylacridin-10-yl)phenyl]benzene-1,2-dicarbonitrile
Basic Information
CAS
1784766-38-6
Multi CAS
No
Molecular Formula
C50H38N4
Molecular Weight
694.900000
Exact Mass
694.309647
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=C(C=C4)C5=C(C=C(C(=C5)C#N)C#N)C6=CC=C(C=C6)N7C8=CC=CC=C8C(C9=CC=CC=C97)(C)C)C
InChI
InChI=1S/C50H38N4/c1-49(2)41-13-5-9-17-45(41)53(46-18-10-6-14-42(46)49)37-25-21-33(22-26-37)39-29-35(31-51)36(32-52)30-40(39)34-23-27-38(28-24-34)54-47-19-11-7-15-43(47)50(3,4)44-16-8-12-20-48(44)54/h5-30H,1-4H3
InChIKey
ACWZCRCBTKBMGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
42
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
220.37
TPSA
54.06
LogP / Solubility
WLOGP
12.98
MLOGP
11.48
XLogP3
12.8
Consensus LogP
12.42
Log S (ESOL)
-12.64
Class (ESOL)
Insoluble
Log S (Ali)
-14.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.43
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)
2.26
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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