![CAS 1402838-14-5 tert-butyl 4-(2-(5H-imidazo[5,1-α]isoindol-5-yl)acetyl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402838-14-5.gif)
CAS RN: 1402838-14-5
tert-butyl 4-(2-(5H-imidazo[5,1-α]isoindol-5-yl)acetyl)piperidine-1-carboxylate
- Product code: SSC-050845
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: 1g, 5g, 0.1g, 0.25g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 5 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 5 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
1402838-14-5 / tert-butyl 4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]piperidine-1-carboxylate
Basic Information
CAS
1402838-14-5
Multi CAS
No
Molecular Formula
C22H27N3O3
Molecular Weight
381.500000
Exact Mass
381.205242
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24
InChI
InChI=1S/C22H27N3O3/c1-22(2,3)28-21(27)24-10-8-15(9-11-24)20(26)12-18-16-6-4-5-7-17(16)19-13-23-14-25(18)19/h4-7,13-15,18H,8-12H2,1-3H3
InChIKey
VWTODPCVGALCGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
105.96
TPSA
64.43
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
2.4
Consensus LogP
3.35
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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