CAS RN: 1870041-76-1
DMAc-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.20260327 | 25mg / 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1870041-76-1
- Purity/Analytical Methods: >99.0%
1870041-76-1 / 10-[4-[6-[4-(9,9-dimethylacridin-10-yl)phenyl]-2-methylpyrimidin-4-yl]phenyl]-9,9-dimethylacridine
Basic Information
CAS
1870041-76-1
Multi CAS
No
Molecular Formula
C47H40N4
Molecular Weight
660.800000
Exact Mass
660.325297
SMILES
CC1=NC(=CC(=N1)C2=CC=C(C=C2)N3C4=CC=CC=C4C(C5=CC=CC=C53)(C)C)C6=CC=C(C=C6)N7C8=CC=CC=C8C(C9=CC=CC=C97)(C)C
InChI
InChI=1S/C47H40N4/c1-31-48-40(32-22-26-34(27-23-32)50-42-18-10-6-14-36(42)46(2,3)37-15-7-11-19-43(37)50)30-41(49-31)33-24-28-35(29-25-33)51-44-20-12-8-16-38(44)47(4,5)39-17-9-13-21-45(39)51/h6-30H,1-5H3
InChIKey
YBDVMYVKYGMMAN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
42
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
211.26
TPSA
32.26
LogP / Solubility
WLOGP
12.34
MLOGP
10.91
XLogP3
12.2
Consensus LogP
11.82
Log S (ESOL)
-12.06
Class (ESOL)
Insoluble
Log S (Ali)
-13.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.68
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)
2.01
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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