CAS RN: 2976-32-1
Methyl 3-nitrophenyl sulfone
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-132917
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, 0.1g, 0.25g, 25g, 10g
- Available purity: >97%
- Inventory rows with stock: 10
- 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 | -- | 4 In Stock | Shanghai | Inquiry |
| 1g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 5g | -- | 2 In Stock | Shanghai | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
2976-32-1 / 1-methylsulfonyl-3-nitrobenzene
Basic Information
CAS
2976-32-1
Multi CAS
Yes
Molecular Formula
C7H7NO4S
Molecular Weight
201.200000
Exact Mass
201.009579
InChI
InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChIKey
FTJMAAWQEAOBBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
46.21
TPSA
77.28
LogP / Solubility
WLOGP
1
MLOGP
0.88
XLogP3
0.5
Consensus LogP
0.79
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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