CAS RN: 351003-62-8
4-BROMO-2-(TRIFLUOROMETHYL)BENZENE SULFONAMIDE
- Product code: SSC-141884
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: 5
- 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 | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
351003-62-8 / 4-bromo-2-(trifluoromethyl)benzenesulfonamide
Basic Information
CAS
351003-62-8
Multi CAS
No
Molecular Formula
BC7H5NO2Rf3S
Molecular Weight
304.090000
Exact Mass
302.917650
InChI
InChI=1S/C7H5BrF3NO2S/c8-4-1-2-6(15(12,13)14)5(3-4)7(9,10)11/h1-3H,(H2,12,13,14)
InChIKey
AHFGKYBAYSEBPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.52
TPSA
60.16
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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