![CAS 931239-24-6 [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-ethyl] 4-aminobenzoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/931239-24-6.gif)
CAS RN: 931239-24-6
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-ethyl] 4-aminobenzoate
- Product code: SSC-207150
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
931239-24-6 / [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-aminobenzoate
Basic Information
CAS
931239-24-6
Multi CAS
No
Molecular Formula
C18H18N2O3
Molecular Weight
310.300000
Exact Mass
310.131742
InChI
InChI=1S/C18H18N2O3/c1-12-10-14-4-2-3-5-16(14)20(12)17(21)11-23-18(22)13-6-8-15(19)9-7-13/h2-9,12H,10-11,19H2,1H3
InChIKey
LSDULSQJWJSEOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.23
TPSA
72.63
LogP / Solubility
WLOGP
2.4
MLOGP
2.13
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
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
3
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