CAS RN: 15992-10-6
2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.1g, 0.25g, 5g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 15992-10-6
| Pack Size |
Recorded Purity |
Available Qty |
Ship From |
Inquiry |
| 1g |
≥97% |
5
In Stock
|
Hong Kong |
Inquiry |
| 0.1g |
≥97% |
2
In Stock
|
Shanghai |
Inquiry |
| 0.25g |
≥97% |
2
In Stock
|
Shenzhen |
Inquiry |
| 5g |
≥97% |
1
In Stock
|
Shenzhen |
Inquiry |
15992-10-6 / 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
Standard CAS: 15992-10-6
Multi CAS: No
Basic Information
CAS
15992-10-6
Multi CAS
No
Molecular Formula
C12H14N2O2
Molecular Weight
218.250000
Exact Mass
218.105528
SMILES
CC1=C(C2=C(N1)C=CC(=C2)OC)CC(=O)N
InChI
InChI=1S/C12H14N2O2/c1-7-9(6-12(13)15)10-5-8(16-2)3-4-11(10)14-7/h3-5,14H,6H2,1-2H3,(H2,13,15)
InChIKey
FUEWIOXAEUFASQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.49
TPSA
68.11
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5