CAS RN: 1987887-92-2
(Z)-methyl 3-(((4-(methylamino)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate
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.20251227 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1987887-92-2
- Purity/Analytical Methods: >99.0%
1987887-92-2 / methyl 2-hydroxy-3-[N-[4-(methylamino)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
Basic Information
CAS
1987887-92-2
Multi CAS
No
Molecular Formula
C24H21N3O3
Molecular Weight
399.400000
Exact Mass
399.158292
SMILES
CNC1=CC=C(C=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)OC)O
InChI
InChI=1S/C24H21N3O3/c1-25-17-9-11-18(12-10-17)26-22(15-6-4-3-5-7-15)21-19-13-8-16(24(29)30-2)14-20(19)27-23(21)28/h3-14,25,27-28H,1-2H3
InChIKey
MCTPUTLLKUFKQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.08
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
119.03
TPSA
86.71
LogP / Solubility
WLOGP
4.87
MLOGP
4.31
XLogP3
5
Consensus LogP
4.73
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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