CAS RN: 97457-31-3
qingdainone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250424 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS97457-31-3
- Purity/Analytical Methods: >99.0%
97457-31-3 / 6-(3-oxo-1H-indol-2-ylidene)indolo[2,1-b]quinazolin-12-one
Basic Information
CAS
97457-31-3
Multi CAS
Yes
Molecular Formula
C23H13N3O2
Molecular Weight
363.400000
Exact Mass
363.100777
InChI
InChI=1S/C23H13N3O2/c27-21-13-7-1-4-10-16(13)24-20(21)19-15-9-3-6-12-18(15)26-22(19)25-17-11-5-2-8-14(17)23(26)28/h1-12,24H/b20-19+
InChIKey
DXENDDMPDZMHSQ-FMQUCBEESA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
23
H-bond acceptors
5
H-bond donors
1
Molar refractivity
109.5
TPSA
63.47
LogP / Solubility
WLOGP
3.14
MLOGP
2.78
XLogP3
3.7
Consensus LogP
3.21
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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