CAS RN: 67029-82-7
2-bromo-1-(1-hydroxynaphthalen-2-yl)ethanone
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.20250401 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS67029-82-7
- Purity/Analytical Methods: >99.0%
67029-82-7 / 2-bromo-1-(1-hydroxynaphthalen-2-yl)ethanone
Basic Information
CAS
67029-82-7
Multi CAS
No
Molecular Formula
C12H9BRO2
Molecular Weight
265.100000
Exact Mass
263.978590
InChI
InChI=1S/C12H9BrO2/c13-7-11(14)10-6-5-8-3-1-2-4-9(8)12(10)15/h1-6,15H,7H2
InChIKey
ADLPBUIQLXKAAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.74
TPSA
37.3
LogP / Solubility
WLOGP
3.12
MLOGP
2.76
XLogP3
3.8
Consensus LogP
3.23
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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