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CAS 359442-67-4 N-(Allyloxy)-2-nitrobenzenesulfonaMide molecular structure lightbox
CAS RN: 359442-67-4

N-(Allyloxy)-2-nitrobenzenesulfonaMide

  • Product code: SSC-143017
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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 359442-67-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

359442-67-4 / 2-nitro-N-prop-2-enoxybenzenesulfonamide

Standard CAS: 359442-67-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
359442-67-4
Multi CAS
Yes
Molecular Formula
C9H10N2O5S
Molecular Weight
258.250000
Exact Mass
258.031043
InChI
InChI=1S/C9H10N2O5S/c1-2-7-16-10-17(14,15)9-6-4-3-5-8(9)11(12)13/h2-6,10H,1,7H2
InChIKey
LCFNIMWVJDLNSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.57
TPSA
98.54

LogP / Solubility

WLOGP
0.99
MLOGP
0.88
XLogP3
1.4
Consensus LogP
1.09
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

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

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