CAS RN: 52927-23-8
5-Bromonaphthalen-1-ol
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.20251007 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB897919
52927-23-8 / 5-bromonaphthalen-1-ol
Basic Information
CAS
52927-23-8
Multi CAS
No
Molecular Formula
C10H7BRO
Molecular Weight
223.070000
Exact Mass
221.968030
InChI
InChI=1S/C10H7BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H
InChIKey
VVBDRNNSHAFBJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.31
TPSA
20.23
LogP / Solubility
WLOGP
3.31
MLOGP
2.91
XLogP3
2.9
Consensus LogP
3.04
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly 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)
-1.73
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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