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CAS 98-68-0 4-Methoxybenzenesulfonyl Chloride molecular structure lightbox
CAS RN: 98-68-0

4-Methoxybenzenesulfonyl Chloride

  • Product code: SSC-212457
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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, 25g, 10g, 100g, 500g
  • Available purity: ≥98%
  • 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 98-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 3 In Stock Beijing Inquiry
10g ≥98% 2 In Stock Beijing Inquiry
100g ≥98% 1 In Stock Beijing Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

98-68-0 / 4-methoxybenzenesulfonyl chloride

Standard CAS: 98-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98-68-0
Multi CAS
Yes
Molecular Formula
C7H7CLO3S
Molecular Weight
206.650000
Exact Mass
205.980443
InChI
InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
InChIKey
DTJVECUKADWGMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.03
TPSA
43.37

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.83

Drug-likeness / Medicinal Chemistry

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

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