CAS RN: 4369-50-0
(4-bromophenyl)(4-hydroxyphenyl)methanone
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.20250719 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS4369-50-0
- Purity/Analytical Methods: >99.0%
4369-50-0 / (4-bromophenyl)-(4-hydroxyphenyl)methanone
Basic Information
CAS
4369-50-0
Multi CAS
No
Molecular Formula
C13H9BRO2
Molecular Weight
277.110000
Exact Mass
275.978590
InChI
InChI=1S/C13H9BrO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
InChIKey
GCSYLFJQFPSOBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.68
TPSA
37.3
LogP / Solubility
WLOGP
3.39
MLOGP
2.99
XLogP3
3.8
Consensus LogP
3.39
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01
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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