![CAS 1114822-42-2 4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1114822-42-2.gif)
CAS RN: 1114822-42-2
4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
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.20251217 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-012187
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 | Shanghai | Inquiry |
1114822-42-2 / 4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one | 4-Amino-1-(2-chlorobenzyl)pyrrolidin-2-one | MFCD12190575
Basic Information
CAS
1114822-42-2
Multi CAS
Yes
Molecular Formula
C11H13ClN2O
Molecular Weight
224.680000
Exact Mass
224.071641
SMILES
C1C(CN(C1=O)CC2=CC=CC=C2Cl)N
InChI
InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-8(10)6-14-7-9(13)5-11(14)15/h1-4,9H,5-7,13H2
InChIKey
UHISTAFNTIFXHV-UHFFFAOYSA-N
Synonyms
4-amino-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
4-Amino-1-(2-chlorobenzyl)pyrrolidin-2-one
MFCD12190575
orb3031671
AKOS000345261
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.46
TPSA
46.33
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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