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CAS 22821-89-2 1,3-dichloro-5-(methylsulphonyl)benzene molecular structure lightbox
CAS RN: 22821-89-2

1,3-dichloro-5-(methylsulphonyl)benzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-111083
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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: 0.1g, 0.25g, 1g, 10g, 25g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 22821-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Beijing Inquiry
10g >97% 4 In Stock Shenzhen Inquiry
25g >97% 3 In Stock Beijing Inquiry
5g >97% 2 In Stock Hong Kong Inquiry

22821-89-2 / 1,3-dichloro-5-methylsulfonylbenzene

Standard CAS: 22821-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22821-89-2
Multi CAS
No
Molecular Formula
C7H6Cl2O2S
Molecular Weight
225.090000
Exact Mass
223.946556
SMILES
CS(=O)(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C7H6Cl2O2S/c1-12(10,11)7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
QIYHQTUAQZMJGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.57
TPSA
34.14

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.4
Consensus LogP
2.3
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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