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: 0.1g, 0.25g, 10g, 1g, 5g
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥97% | 5 In Stock | Beijing | Inquiry |
| 0.25g | -- | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | -- | 3 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | -- | 3 In Stock | Shenzhen | Inquiry |
| 5g | ≥97% | 3 In Stock | Shenzhen | Inquiry |
662116-71-4 / 1-methylsulfonylpyrrolidin-3-amine
Basic Information
CAS
662116-71-4
Multi CAS
No
Molecular Formula
C5H12N2O2S
Molecular Weight
164.230000
Exact Mass
164.061949
InChI
InChI=1S/C5H12N2O2S/c1-10(8,9)7-3-2-5(6)4-7/h5H,2-4,6H2,1H3
InChIKey
UDYSDVVJHGYAHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.01
TPSA
63.4
LogP / Solubility
WLOGP
-1.02
MLOGP
-0.9
XLogP3
-1.2
Consensus LogP
-1.04
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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