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CAS 1351395-66-8 (S)-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonaMide molecular structure lightbox
CAS RN: 1351395-66-8

(S)-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-043081
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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 1351395-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1351395-66-8 / N-[(2S)-1-hydroxypropan-2-yl]-2-nitrobenzenesulfonamide

Standard CAS: 1351395-66-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1351395-66-8
Multi CAS
No
Molecular Formula
C9H12N2O5S
Molecular Weight
260.270000
Exact Mass
260.046693
SMILES
C[C@@H](CO)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C9H12N2O5S/c1-7(6-12)10-17(15,16)9-5-3-2-4-8(9)11(13)14/h2-5,7,10,12H,6H2,1H3/t7-/m0/s1
InChIKey
FDFFWQKRBIFMNE-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
59.97
TPSA
109.54

LogP / Solubility

WLOGP
0.25
MLOGP
0.23
XLogP3
0.5
Consensus LogP
0.33
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-4.13

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
2

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