CAS RN: 2093243-16-2
(Z)-methyl 3-(hydroxy(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.20250409 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2093243-16-2
- Purity/Analytical Methods: >99.0%
2093243-16-2 / methyl 3-benzoyl-2-hydroxy-1H-indole-6-carboxylate
Basic Information
CAS
2093243-16-2
Multi CAS
No
Molecular Formula
C17H13NO4
Molecular Weight
295.290000
Exact Mass
295.084458
SMILES
COC(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO4/c1-22-17(21)11-7-8-12-13(9-11)18-16(20)14(12)15(19)10-5-3-2-4-6-10/h2-9,18,20H,1H3
InChIKey
CTAXHFYBNNGHNF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.18
TPSA
79.39
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
3.8
Consensus LogP
3.08
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
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
Leadlikeness
Yes
Synthetic Accessibility
2.5
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