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, 0.1g, 0.25g, 5g, 10g
- Available purity: ≥95%
- 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 | Beijing | Inquiry |
| 1g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 1 In Stock | Beijing | Inquiry |
148278-73-3 / 3-methylsulfonylbenzene-1,2-diamine
Basic Information
CAS
148278-73-3
Multi CAS
No
Molecular Formula
C7H10N2O2S
Molecular Weight
186.230000
Exact Mass
186.046299
SMILES
CS(=O)(=O)C1=CC=CC(=C1N)N
InChI
InChI=1S/C7H10N2O2S/c1-12(10,11)6-4-2-3-5(8)7(6)9/h2-4H,8-9H2,1H3
InChIKey
ZAIQAMUPQDZCCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.38
TPSA
86.18
LogP / Solubility
WLOGP
0.25
MLOGP
0.22
XLogP3
0.3
Consensus LogP
0.26
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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