CAS RN: 4906-68-7
3-bromo-5-phenyl Salicylic Acid
Product Availability
Choose a grade to view its available package options.
12 package records9 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260321 | 100mg | Out of stock | Inquiry | |
| Batchno.20250702 | 10mg | In stock | Wuhan | Inquiry |
| Batchno.20260511 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250224 | 250mg | Out of stock | Inquiry | |
| Batchno.20250917 | 25mg | Out of stock | Inquiry | |
| Batchno.20250820 | 50mg | In stock | Wuhan | Inquiry |
- Product code: starshine_CAS4906-68-7
- Purity/Analytical Methods: >99.0%
4906-68-7 / 3-bromo-2-hydroxy-5-phenylbenzoic acid
Basic Information
CAS
4906-68-7
Multi CAS
Yes
Molecular Formula
C13H9BRO3
Molecular Weight
293.110000
Exact Mass
291.973510
InChI
InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
InChIKey
XVZSXNULHSIRCQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.2
TPSA
57.53
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
4
Consensus LogP
3.54
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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
No
Synthetic Accessibility
1.5
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