CAS RN: 269730-03-2
RPI 1
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260106 | 1mg / 10mg / 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260621 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260119 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260409 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250113 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260210 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20251205 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250826 | 5mg | In stock | Shanghai | Inquiry |
- Product code: ICTR0202
- Purity/Analytical Methods: >95.0%(HPLC)
269730-03-2 / 3-[(4-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
Basic Information
CAS
269730-03-2
Multi CAS
No
Molecular Formula
C17H15NO4
Molecular Weight
297.300000
Exact Mass
297.100108
SMILES
COC1=C(C=C2C(=C1)C(=CC3=CC=C(C=C3)O)C(=O)N2)OC
InChI
InChI=1S/C17H15NO4/c1-21-15-8-12-13(7-10-3-5-11(19)6-4-10)17(20)18-14(12)9-16(15)22-2/h3-9,19H,1-2H3,(H,18,20)
InChIKey
JGSMCYNBVCGIHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.15
TPSA
67.79
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
2.5
Consensus LogP
2.66
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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