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, 10g, 100g, 25g
- Available purity: ≥98%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 0.1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 0.25g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 2 In Stock | Shanghai | Inquiry |
| 100g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 1 In Stock | Shanghai | Inquiry |
2142-06-5 / 1-benzylpyrrolidine-2,5-dione
Basic Information
CAS
2142-06-5
Multi CAS
No
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
SMILES
C1CC(=O)N(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
IONNJVQITCVNHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.23
TPSA
37.38
LogP / Solubility
WLOGP
1.34
MLOGP
1.17
XLogP3
0.6
Consensus LogP
1.04
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
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N-OCTYLUREA
- CAS RN: 2158/10/3
- Product Code: starshine_CAS2158-10-3
- Purity/Analytical method: >99.0%
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![CAS 2160/10/3 5-METHYL-4-NITROBENZO[C][1,2,5] SELENADIAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2160-10-3.gif)
