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CAS 24224-99-5 BENZENESULFONYL CYANIDE molecular structure lightbox
CAS RN: 24224-99-5

BENZENESULFONYL CYANIDE

  • Product code: starshine_CAS24224-99-5
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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 24224-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 95%+ 0 Out of Stock Shanghai Inquiry

24224-99-5 / benzenesulfonylformonitrile

Standard CAS: 24224-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24224-99-5
Multi CAS
No
Molecular Formula
C7H5NO2S
Molecular Weight
167.190000
Exact Mass
167.004100
SMILES
C1=CC=C(C=C1)S(=O)(=O)C#N
InChI
InChI=1S/C7H5NO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H
InChIKey
VKEVYOIDTOPARM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
39.24
TPSA
57.93

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
1.2
Consensus LogP
0.99
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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