CAS RN: 909712-63-6
2,6-Di(9H-carbazol-9-yl)anthracene-9,10-dione
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20251120 |
100mg |
Out of stock |
15 business days | Inquiry |
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Product code:
starshine_CAS909712-63-6
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Purity/Analytical Methods:
>99.0%
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909712-63-6 / 2,6-di(carbazol-9-yl)anthracene-9,10-dione
Standard CAS: 909712-63-6
Multi CAS: No
Basic Information
CAS
909712-63-6
Multi CAS
No
Molecular Formula
C38H22N2O2
Molecular Weight
538.600000
Exact Mass
538.168128
InChI
InChI=1S/C38H22N2O2/c41-37-30-20-18-24(40-35-15-7-3-11-27(35)28-12-4-8-16-36(28)40)22-32(30)38(42)29-19-17-23(21-31(29)37)39-33-13-5-1-9-25(33)26-10-2-6-14-34(26)39/h1-22H
InChIKey
PGSSOHYXCTUKCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
168.43
TPSA
44
LogP / Solubility
WLOGP
8.66
MLOGP
7.66
XLogP3
9
Consensus LogP
8.44
Log S (ESOL)
-9.17
Class (ESOL)
Insoluble
Log S (Ali)
-10.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.59
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.14
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
7