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CAS 928709-67-5 5-CHLORO-2-ETHOXY-BENZENESULFONYL CHLORIDE molecular structure lightbox
CAS RN: 928709-67-5

5-CHLORO-2-ETHOXY-BENZENESULFONYL CHLORIDE

  • Product code: SSC-206741
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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: 0.25g
  • 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 928709-67-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

928709-67-5 / 5-chloro-2-ethoxybenzenesulfonyl chloride

Standard CAS: 928709-67-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
928709-67-5
Multi CAS
No
Molecular Formula
C8H8CL2O3S
Molecular Weight
255.120000
Exact Mass
253.957121
InChI
InChI=1S/C8H8Cl2O3S/c1-2-13-7-4-3-6(9)5-8(7)14(10,11)12/h3-5H,2H2,1H3
InChIKey
PDGIYYLBZMYHCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
55.66
TPSA
43.37

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.9
Consensus LogP
2.64
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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)
-2.38

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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