CAS RN: 315248-40-9
indolin-1-yl(o-tolyl)methanone
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.20250302 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS315248-40-9
- Purity/Analytical Methods: >99.0%
315248-40-9 / 2,3-dihydroindol-1-yl-(2-methylphenyl)methanone
Basic Information
CAS
315248-40-9
Multi CAS
No
Molecular Formula
C16H15NO
Molecular Weight
237.300000
Exact Mass
237.115364
InChI
InChI=1S/C16H15NO/c1-12-6-2-4-8-14(12)16(18)17-11-10-13-7-3-5-9-15(13)17/h2-9H,10-11H2,1H3
InChIKey
IIRMAUHQDXLCPP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
73
TPSA
20.31
LogP / Solubility
WLOGP
3.2
MLOGP
2.82
XLogP3
3.3
Consensus LogP
3.11
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 315676-31-4 2-CHLORO-1-[2,5-DIMETHYL-1-(2-PHENYLETHYL)-1H-PYRROL-3-YL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2391171(1).gif)
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