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CAS 28286-86-4 2,4-DICHLORO-5-METHYLBENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 28286-86-4

2,4-DICHLORO-5-METHYLBENZENESULFONYL CHLORIDE

  • Product code: SSC-129310
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28286-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

28286-86-4 / 2,4-dichloro-5-methylbenzenesulfonyl chloride

Standard CAS: 28286-86-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28286-86-4
Multi CAS
Yes
Molecular Formula
C7H5Cl3O2S
Molecular Weight
259.500000
Exact Mass
257.907584
InChI
InChI=1S/C7H5Cl3O2S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,1H3
InChIKey
DFBKCDYLPLBSJP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.24
TPSA
34.14

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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