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
Customers Also Viewed
-
![CAS 132414-02-9 2,3,4,5-Tetrahydro-5-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1H-pyrido[4,3-b]indol-1-one hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132414-02-9.gif)
2,3,4,5-Tetrahydro-5-methyl-2-[(4-methyl-1H-imidazol-5-yl)methyl]-1H-pyrido[4,3-b]indol-1-one hydrochloride
- CAS RN: 132414-02-9
- Product Code: starshine_CAS132414-02-9
- Purity/Analytical method: >99.0%
-
![CAS 132414-50-7 1-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132414-50-7.gif)
-
![CAS 132414-55-2 DECAHYDROPYRROLO[3,4-B]PYRROLIZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132414-55-2.gif)
DECAHYDROPYRROLO[3,4-B]PYRROLIZINE
- CAS RN: 132414-55-2
- Product Code: starshine_CAS132414-55-2
- Purity/Analytical method: >99.0%
-
![CAS 132414-59-6 5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132414-59-6.gif)
5-Methyl-1H-hexahydropyrrolo[3,4-b]pyrrole
- CAS RN: 132414-59-6
- Product Code: starshine_CAS132414-59-6
- Purity/Analytical method: >99.0%
-
![CAS 132414-78-9 Ethyl 1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132414-78-9.gif)
Ethyl 1-benzylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate
- CAS RN: 132414-78-9
- Product Code: SSC-039325
-
![CAS 132414-79-0 Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132414-79-0.gif)
Pyrrolo[3,4-b]pyrrole-5(1H)-carboxylic acid, hexahydro-, ethyl ester
- CAS RN: 132414-79-0
- Product Code: SSC-039326