CAS RN: 1551728-64-3
4-(3-Bromo-4-fluorophenoxy)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.20250321 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1551728-64-3
- Purity/Analytical Methods: >99.0%
1551728-64-3 / 4-(3-bromo-4-fluorophenoxy)benzenesulfonamide
Basic Information
CAS
1551728-64-3
Multi CAS
No
Molecular Formula
C12H9BrFNO3S
Molecular Weight
346.170000
Exact Mass
344.947060
SMILES
C1=CC(=CC=C1OC2=CC(=C(C=C2)F)Br)S(=O)(=O)N
InChI
InChI=1S/C12H9BrFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)
InChIKey
HXZNEKCLASPKOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.99
TPSA
69.39
LogP / Solubility
WLOGP
3.03
MLOGP
2.68
XLogP3
2.8
Consensus LogP
2.84
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
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)
-2.68
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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