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CAS 52206-05-0 1-ACETYL-2,3-DIHYDRO-1H-INDOLE-5-SULFONYL CHLORIDE molecular structure lightbox
CAS RN: 52206-05-0

1-ACETYL-2,3-DIHYDRO-1H-INDOLE-5-SULFONYL CHLORIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250823 1g In stock Inquiry
Batchno.20250821 250mg In stock Inquiry
Batchno.20250729 25g In stock Inquiry
Batchno.20250221 5g In stock Inquiry
  • Product code: SSC-159310
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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 52206-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

52206-05-0 / 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride

Standard CAS: 52206-05-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52206-05-0
Multi CAS
Yes
Molecular Formula
C10H10CLNO3S
Molecular Weight
259.710000
Exact Mass
259.006992
InChI
InChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKey
QNFXLCHANYHGIF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.21
TPSA
54.45

LogP / Solubility

WLOGP
1.52
MLOGP
1.35
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

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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