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CAS 98-57-7 4-Chlorophenyl Methyl Sulfone molecular structure lightbox
CAS RN: 98-57-7

4-Chlorophenyl Methyl Sulfone

  • Product code: SSC-212451
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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: 10g, 5g, 25g, 100g
  • Available purity: ≥98%
  • 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 98-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 4 In Stock Beijing Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

98-57-7 / 1-chloro-4-methylsulfonylbenzene

Standard CAS: 98-57-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98-57-7
Multi CAS
Yes
Molecular Formula
C7H7CLO2S
Molecular Weight
190.650000
Exact Mass
189.985528
InChI
InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey
LMCOQDVJBWVNNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.56
TPSA
34.14

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
1.1
Consensus LogP
1.46
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.65

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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