CAS RN: 220470-24-6
AWCWKIIMNWGBRM-UHFFFAOYSA-N
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.20250624 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-106058
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 3
- 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.
220470-24-6 / tert-butyl 4-(4-cyanobenzoyl)piperazine-1-carboxylate
Basic Information
CAS
220470-24-6
Multi CAS
No
Molecular Formula
C17H21N3O3
Molecular Weight
315.370000
Exact Mass
315.158292
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)20-10-8-19(9-11-20)15(21)14-6-4-13(12-18)5-7-14/h4-7H,8-11H2,1-3H3
InChIKey
AWCWKIIMNWGBRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
84.87
TPSA
73.64
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
1.8
Consensus LogP
2.01
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Ethanone, 1-(5-methylpyrazinyl)-
- CAS RN: 22047-27-4
- Product Code: starshine_CAS22047-27-4
- Purity/Analytical method: >99.0%
-
-
-
S-3,3′-bis([1,1′-biphenyl]-4-yl)-1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 220486-43-1
- Product Code: starshine_CAS220486-43-1
- Purity/Analytical method: >99.0%
-
-
ETHYL 1-METHYL-1H-INDAZOLE-3-CARBOXYLATE
- CAS RN: 220488-05-1
- Product Code: starshine_CAS220488-05-1
- Purity/Analytical method: >99.0%
![CAS 220486-43-1 S-3,3′-bis([1,1′-biphenyl]-4-yl)-1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220486-43-1.gif)
![CAS 22048-71-1 [4-(1H-pyrrol-1-yl)phenyl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/22048-71-1.gif)
