CAS RN: 1148118-92-6
Tripolin A
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.20260608 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1148118-92-6
- Purity/Analytical Methods: >99.0%
1148118-92-6 / (3Z)-3-[(2,5-dihydroxyphenyl)methylidene]-1H-indol-2-one
Tripolin A | (3Z)-3-[(2,5-Dihydroxyphenyl)methylidene]-1H-indol-2-one | (Z)-3-(2,5-Dihydroxy-benzylidene)-1,3-dihydro-indol-2-one
Basic Information
CAS
1148118-92-6
Multi CAS
Yes
Molecular Formula
C15H11NO3
Molecular Weight
253.250000
Exact Mass
253.073893
SMILES
C1=CC=C2C(=C1)/C(=C/C3=C(C=CC(=C3)O)O)/C(=O)N2
InChI
InChI=1S/C15H11NO3/c17-10-5-6-14(18)9(7-10)8-12-11-3-1-2-4-13(11)16-15(12)19/h1-8,17-18H,(H,16,19)/b12-8-
InChIKey
OMKSBDLWMROKNU-WQLSENKSSA-N
Synonyms
Tripolin A
(3Z)-3-[(2,5-Dihydroxyphenyl)methylidene]-1H-indol-2-one
(Z)-3-(2,5-Dihydroxy-benzylidene)-1,3-dihydro-indol-2-one
SCHEMBL5472947
(3E)-3-[(2,5-Dihydroxyphenyl)methylene]-1,3-dihydro-2H-indol-2-one
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
72.71
TPSA
69.56
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.2
Consensus LogP
2.36
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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