CAS RN: 52061-51-5
4-(Benzyloxy)-N,N-dimethyl-indole-3-glyoxylamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-159122
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 | Beijing | Inquiry |
52061-51-5 / N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide
Basic Information
CAS
52061-51-5
Multi CAS
No
Molecular Formula
C19H18N2O3
Molecular Weight
322.400000
Exact Mass
322.131742
InChI
InChI=1S/C19H18N2O3/c1-21(2)19(23)18(22)14-11-20-15-9-6-10-16(17(14)15)24-12-13-7-4-3-5-8-13/h3-11,20H,12H2,1-2H3
InChIKey
PBWXUCRHDILBKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.1
TPSA
62.4
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
2.9
Consensus LogP
2.86
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-2.54
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
2.5
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