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CAS RN: 349404-76-8
4-BroMo-N-(4-fluorophenyl)benzenesulfonaMide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251002 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS349404-76-8
- Purity/Analytical Methods: >99.0%
349404-76-8 / 4-bromo-N-(4-fluorophenyl)benzenesulfonamide
Basic Information
CAS
349404-76-8
Multi CAS
No
Molecular Formula
BC12H9NO2RfS
Molecular Weight
330.170000
Exact Mass
328.952140
InChI
InChI=1S/C12H9BrFNO2S/c13-9-1-7-12(8-2-9)18(16,17)15-11-5-3-10(14)4-6-11/h1-8,15H
InChIKey
WCELWULYOGBYHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.35
TPSA
46.17
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
3.6
Consensus LogP
3.33
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33
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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