CAS RN: 132392-28-0
2-BROMO-1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE
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.20250719 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS132392-28-0
- Purity/Analytical Methods: >99.0%
132392-28-0 / 2-bromo-1-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
Basic Information
CAS
132392-28-0
Multi CAS
No
Molecular Formula
C16H21BrO
Molecular Weight
309.240000
Exact Mass
308.077580
SMILES
CC1(CCC(C2=C1C=CC(=C2)C(=O)CBr)(C)C)C
InChI
InChI=1S/C16H21BrO/c1-15(2)7-8-16(3,4)13-9-11(14(18)10-17)5-6-12(13)15/h5-6,9H,7-8,10H2,1-4H3
InChIKey
BWXPCWLVNVLIFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
79.85
TPSA
17.07
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
5.5
Consensus LogP
4.73
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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