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CAS 82-74-6 8-chloro-1-naphthalenesulfonyl chloride(SALTDATA: FREE) molecular structure lightbox
CAS RN: 82-74-6

8-chloro-1-naphthalenesulfonyl chloride(SALTDATA: FREE)

  • Product code: SSC-190257
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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: 1g
  • 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 82-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

82-74-6 / 8-chloronaphthalene-1-sulfonyl chloride

Standard CAS: 82-74-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82-74-6
Multi CAS
Yes
Molecular Formula
C10H6CL2O2S
Molecular Weight
261.120000
Exact Mass
259.946556
InChI
InChI=1S/C10H6Cl2O2S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H
InChIKey
WORJISAOMPPPTM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62
TPSA
34.14

LogP / Solubility

WLOGP
3.42
MLOGP
3.02
XLogP3
3.8
Consensus LogP
3.41
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88

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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