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CAS 74124-92-8 2-(Acetylamino)indane-5-sulfonyl chloride molecular structure lightbox
CAS RN: 74124-92-8

2-(Acetylamino)indane-5-sulfonyl chloride

  • Product code: SSC-183525
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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: 0.1g
  • 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 74124-92-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

74124-92-8 / 2-acetamido-2,3-dihydro-1H-indene-5-sulfonyl chloride

Standard CAS: 74124-92-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74124-92-8
Multi CAS
No
Molecular Formula
C11H12CLNO3S
Molecular Weight
273.740000
Exact Mass
273.022642
InChI
InChI=1S/C11H12ClNO3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)
InChIKey
XNVZUBLWWSTORI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.49
TPSA
63.24

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
1.6
Consensus LogP
1.3
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-3.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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