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CAS 72531-23-8 1-(4-Amino-3-chloro-phenyl)-ethanone molecular structure lightbox
CAS RN: 72531-23-8

1-(4-Amino-3-chloro-phenyl)-ethanone

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251201 1g In stock Inquiry
Batchno.20260112 250mg In stock Inquiry
Batchno.20250107 5g In stock Inquiry
  • Product code: SSC-182035
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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: 1g, 5g, 0.1g, 0.25g
  • 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 72531-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shenzhen Inquiry
5g ≥95% 2 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

72531-23-8 / 1-(4-amino-3-chlorophenyl)ethanone

Standard CAS: 72531-23-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72531-23-8
Multi CAS
Yes
Molecular Formula
C8H8CLNO
Molecular Weight
169.610000
Exact Mass
169.029442
InChI
InChI=1S/C8H8ClNO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,10H2,1H3
InChIKey
VGVXDPRCTIRHOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.87
TPSA
43.09

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.25

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

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