CAS RN: 83642-28-8
1-bromo-4-(4-methylsulfonylphenoxy)benzene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS83642-28-8
- Purity/Analytical Methods: >99.0%
83642-28-8 / 1-(4-bromophenoxy)-4-methylsulfonylbenzene
Basic Information
CAS
83642-28-8
Multi CAS
No
Molecular Formula
C13H11BRO3S
Molecular Weight
327.200000
Exact Mass
325.961230
InChI
InChI=1S/C13H11BrO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,1H3
InChIKey
UTOBNWJHJAXJFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
73.77
TPSA
43.37
LogP / Solubility
WLOGP
3.64
MLOGP
3.22
XLogP3
3
Consensus LogP
3.29
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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