CAS RN: 4052-30-6
4-(Methylsulfonyl)benzoic Acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
- Product code: SSC-148757
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: 5g, 10g, 25g, 100g, 500g, 1000g
- Available purity: ≥98%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 10g | -- | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 25g | -- | 5 In Stock | Shanghai | Inquiry |
| 25g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 100g | -- | 5 In Stock | Hong Kong | Inquiry |
| 100g | ≥98% | 5 In Stock | Hong Kong | Inquiry |
| 5g | ≥98% | 4 In Stock | Shenzhen | Inquiry |
| 500g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 1000g | -- | 0 Out of Stock | Beijing | Inquiry |
4052-30-6 / 4-methylsulfonylbenzoic acid
Basic Information
CAS
4052-30-6
Multi CAS
Yes
Molecular Formula
C8H8O4S
Molecular Weight
200.210000
Exact Mass
200.014330
InChI
InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
AJBWNNKDUMXZLM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.51
TPSA
71.44
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.7
Consensus LogP
0.73
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
