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CAS 115314-17-5 (R)-Glycidyl 3-Nitrobenzenesulfonate molecular structure lightbox
CAS RN: 115314-17-5

(R)-Glycidyl 3-Nitrobenzenesulfonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-015077
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 115314-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

115314-17-5 / [(2R)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate

Glycidyl 3-nitrobenzenesulfonate | [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate | TH53HZU4D9

Standard CAS: 115314-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115314-17-5
Multi CAS
Yes
Molecular Formula
C9H9NO6S
Molecular Weight
259.240000
Exact Mass
259.015058
SMILES
C1[C@@H](O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m1/s1
InChIKey
AIHIHVZYAAMDPM-MRVPVSSYSA-N
Synonyms
Glycidyl 3-nitrobenzenesulfonate [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate TH53HZU4D9 DTXSID00151046 ((2S)-Oxiran-2-yl)methyl 3-nitrobenzenesulfonate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
55.97
TPSA
99.04

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-3.81

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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