![CAS 847950-09-8 PyriMido[5′,4′:5,6]pyriMido[1,2-a]benziMidazol-5(6H)-one, 6-(2,6-diMethylphenyl)-2-[[4-(4-Methyl-1-piperazinyl)phenyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847950-09-8.gif)
CAS RN: 847950-09-8
PyriMido[5′,4′:5,6]pyriMido[1,2-a]benziMidazol-5(6H)-one, 6-(2,6-diMethylphenyl)-2-[[4-(4-Methyl-1-piperazinyl)phenyl]aMino]-
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.20260421 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS847950-09-8
- Purity/Analytical Methods: >99.0%
847950-09-8 / 9-(2,6-dimethylphenyl)-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3,5,9,11-pentazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,10,12,14,16-heptaen-8-one
Basic Information
CAS
847950-09-8
Multi CAS
Yes
Molecular Formula
C31H30N8O
Molecular Weight
530.600000
Exact Mass
530.254258
InChI
InChI=1S/C31H30N8O/c1-20-7-6-8-21(2)27(20)39-29(40)24-19-32-30(35-28(24)38-26-10-5-4-9-25(26)34-31(38)39)33-22-11-13-23(14-12-22)37-17-15-36(3)16-18-37/h4-14,19H,15-18H2,1-3H3,(H,32,33,35)
InChIKey
BHJJWVDKNXABFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
29
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
1
Molar refractivity
160.3
TPSA
83.59
LogP / Solubility
WLOGP
4.69
MLOGP
4.17
XLogP3
5.2
Consensus LogP
4.69
Log S (ESOL)
-6.36
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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