CAS RN: 645-83-0
3-(METHYLSULFONYL)PROPANOIC ACID
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-174254
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: 97%
- Inventory rows with stock: 1
- 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 |
|---|---|---|---|---|
| 0.25g | 97% | 1 In Stock | Beijing | Inquiry |
| 1g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
| 5g | 97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | 97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | 97% | 0 Out of Stock | Hong Kong | Inquiry |
645-83-0 / 3-methylsulfonylpropanoic acid
Basic Information
CAS
645-83-0
Multi CAS
Yes
Molecular Formula
C4H8O4S
Molecular Weight
152.170000
Exact Mass
152.014330
InChI
InChI=1S/C4H8O4S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
ODUCCTTZGHSNKX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.96
TPSA
71.44
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.44
XLogP3
-0.9
Consensus LogP
-0.61
Log S (ESOL)
-0.27
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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