CAS RN: 85928-57-0
2-BROMO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
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.20260626 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS85928-57-0
- Purity/Analytical Methods: >99.0%
85928-57-0 / 2-bromo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
85928-57-0
Multi CAS
No
Molecular Formula
C11H11BRO2
Molecular Weight
255.110000
Exact Mass
253.994240
InChI
InChI=1S/C11H11BrO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3
InChIKey
WHEBCCJXJLNMGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
58.36
TPSA
26.3
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.9
Consensus LogP
2.59
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
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
2
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