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CAS 52010-22-7 4-Chlorophthalide molecular structure lightbox
CAS RN: 52010-22-7

4-Chlorophthalide

  • Product code: SSC-159076
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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, 0.25g, 0.1g, 0.5g, 2g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 12
  • 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 52010-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
0.25g -- 2 In Stock Beijing Inquiry
0.25g ≥98% 2 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g ≥98% 1 In Stock Hong Kong Inquiry
0.5g -- 1 In Stock Beijing Inquiry
0.5g ≥98% 1 In Stock Shenzhen Inquiry
2g -- 1 In Stock Shenzhen Inquiry
2g ≥98% 1 In Stock Hong Kong Inquiry
5g -- 1 In Stock Shanghai Inquiry
5g ≥98% 1 In Stock Shanghai Inquiry
10g -- 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Hong Kong Inquiry

52010-22-7 / 4-chloro-3H-2-benzofuran-1-one

Standard CAS: 52010-22-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52010-22-7
Multi CAS
Yes
Molecular Formula
C8H5CLO2
Molecular Weight
168.570000
Exact Mass
167.997807
InChI
InChI=1S/C8H5ClO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4H2
InChIKey
PLBDNGRGWFOSCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
40.57
TPSA
26.3

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-2.32

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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