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CAS 52449-43-1 Methyl (4-Chlorophenyl)acetate molecular structure lightbox
CAS RN: 52449-43-1

Methyl (4-Chlorophenyl)acetate

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250710 100g In stock Inquiry
Batchno.20250413 10g In stock Inquiry
Batchno.20260315 1g In stock Inquiry
Batchno.20260211 25g In stock Inquiry
Batchno.20250803 500g In stock Inquiry
Batchno.20250602 5g In stock Inquiry
  • Product code: SSC-159557
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 52449-43-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shenzhen Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 1 In Stock Shanghai Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry
500g ≥98% 0 Out of Stock Beijing Inquiry

52449-43-1 / methyl 2-(4-chlorophenyl)acetate

Standard CAS: 52449-43-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52449-43-1
Multi CAS
Yes
Molecular Formula
C9H9CLO2
Molecular Weight
184.620000
Exact Mass
184.029107
InChI
InChI=1S/C9H9ClO2/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3
InChIKey
WWIYGBWRUXQDND-UHFFFAOYSA-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
Molar refractivity
47.17
TPSA
26.3

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.5
Consensus LogP
2.12
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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