CAS RN: 2212021-76-4
Ethyl 5-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1H-indole-2-carboxylate
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.20250708 | 100mg / 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-106441
Verified Factory Data
Supply Overview & Packaging Options
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: 5g, 0.1g, 0.25g, 1g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
2212021-76-4 / ethyl 5-(2,2-dimethyloxan-4-yl)-1H-indole-2-carboxylate
Basic Information
CAS
2212021-76-4
Multi CAS
No
Molecular Formula
C18H23NO3
Molecular Weight
301.400000
Exact Mass
301.167794
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C3CCOC(C3)(C)C
InChI
InChI=1S/C18H23NO3/c1-4-21-17(20)16-10-14-9-12(5-6-15(14)19-16)13-7-8-22-18(2,3)11-13/h5-6,9-10,13,19H,4,7-8,11H2,1-3H3
InChIKey
ZXYNOALDDLZUJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.26
TPSA
51.32
LogP / Solubility
WLOGP
4.02
MLOGP
3.55
XLogP3
3.6
Consensus LogP
3.72
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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