CAS RN: 115314-14-2
(S)-Glycidyl 3-Nitrobenzenesulfonate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai, Guangdong | Inquiry |
- Product code: SSC-015076
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, 500g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
115314-14-2 / [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
Glycidyl 3-nitrobenzenesulfonate | [(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate | TH53HZU4D9
Basic Information
CAS
115314-14-2
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-/m0/s1
InChIKey
AIHIHVZYAAMDPM-QMMMGPOBSA-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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (95.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
