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CAS 213178-69-9 2-(4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl)acetamide molecular structure lightbox
CAS RN: 213178-69-9

2-(4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl)acetamide

  • Product code: SSC-101777
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 213178-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

213178-69-9 / 2-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]acetamide

Standard CAS: 213178-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
213178-69-9
Multi CAS
No
Molecular Formula
C12H13ClN2O2
Molecular Weight
252.690000
Exact Mass
252.066555
SMILES
C1C(CN(C1=O)CC(=O)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN2O2/c13-10-3-1-8(2-4-10)9-5-12(17)15(6-9)7-11(14)16/h1-4,9H,5-7H2,(H2,14,16)
InChIKey
NEEZTPLBDJRDCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.58
TPSA
63.4

LogP / Solubility

WLOGP
1.14
MLOGP
1.01
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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