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CAS 132298-11-4 1-Propanone, 1-(4-aminophenyl)-2-chloro-, (R)- (9CI) molecular structure lightbox
CAS RN: 132298-11-4

1-Propanone, 1-(4-aminophenyl)-2-chloro-, (R)- (9CI)

  • Product code: SSC-039248
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 132298-11-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry

132298-11-4 / (2R)-1-(4-aminophenyl)-2-chloropropan-1-one

Standard CAS: 132298-11-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132298-11-4
Multi CAS
No
Molecular Formula
C9H10ClNO
Molecular Weight
183.630000
Exact Mass
183.045092
SMILES
C[C@H](C(=O)C1=CC=C(C=C1)N)Cl
InChI
InChI=1S/C9H10ClNO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,11H2,1H3/t6-/m1/s1
InChIKey
ZKFSGOCBENBOEA-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.5
TPSA
43.09

LogP / Solubility

WLOGP
2.08
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.36

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
2

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