CAS RN: 1370032-19-1
CA-5f
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9 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1370032-19-1
- Purity/Analytical Methods: >99.0%
1370032-19-1 / (3E,5E)-3-[(3,4-dimethoxyphenyl)methylidene]-5-(1H-indol-3-ylmethylidene)-1-methylpiperidin-4-one
Basic Information
CAS
1370032-19-1
Multi CAS
No
Molecular Formula
C24H24N2O3
Molecular Weight
388.500000
Exact Mass
388.178693
SMILES
CN1C/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)/C(=C/C3=CNC4=CC=CC=C43)/C1
InChI
InChI=1S/C24H24N2O3/c1-26-14-18(10-16-8-9-22(28-2)23(11-16)29-3)24(27)19(15-26)12-17-13-25-21-7-5-4-6-20(17)21/h4-13,25H,14-15H2,1-3H3/b18-10+,19-12+
InChIKey
JYOLPDWVAMBMQN-UBIAKTOFSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
116.3
TPSA
54.56
LogP / Solubility
WLOGP
4.17
MLOGP
3.69
XLogP3
3.7
Consensus LogP
3.85
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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