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CAS 1252761-56-0 (4R)-4-(3,4-Dichlorophenyl)-2-pyrrolidinone molecular structure lightbox
CAS RN: 1252761-56-0

(4R)-4-(3,4-Dichlorophenyl)-2-pyrrolidinone

  • Product code: SSC-030001
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1252761-56-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1252761-56-0 / (4R)-4-(3,4-dichlorophenyl)pyrrolidin-2-one

Standard CAS: 1252761-56-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1252761-56-0
Multi CAS
No
Molecular Formula
C10H9Cl2NO
Molecular Weight
230.090000
Exact Mass
229.006119
SMILES
C1[C@@H](CNC1=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H9Cl2NO/c11-8-2-1-6(3-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5H2,(H,13,14)/t7-/m0/s1
InChIKey
QZRJFUBGLZHBHU-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.83
TPSA
29.1

LogP / Solubility

WLOGP
2.6
MLOGP
2.29
XLogP3
2.3
Consensus LogP
2.4
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-2.28

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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