CAS RN: 82020-55-1
Benzenesulfonamide, 5-fluoro-2-hydroxy- (9CI)
- Product code: SSC-190277
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, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- 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 | >95% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Beijing | Inquiry |
| 5g | >95% | 1 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
82020-55-1 / 5-fluoro-2-hydroxybenzenesulfonamide
Basic Information
CAS
82020-55-1
Multi CAS
No
Molecular Formula
C6FH6NO3S
Molecular Weight
191.180000
Exact Mass
191.005242
InChI
InChI=1S/C6H6FNO3S/c7-4-1-2-5(9)6(3-4)12(8,10)11/h1-3,9H,(H2,8,10,11)
InChIKey
BDKFWYFSEGBWHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.44
TPSA
80.39
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.8
Consensus LogP
0.38
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.76
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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- CAS RN: 82039-17-6
- Product Code: SSC-190294
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