CAS RN: 166978-48-9
4,4-Dimethyl-7-ethynyl-1-tetralone
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.20251104 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS166978-48-9
- Purity/Analytical Methods: >99.0%
166978-48-9 / 7-ethynyl-4,4-dimethyl-2,3-dihydronaphthalen-1-one
Basic Information
CAS
166978-48-9
Multi CAS
No
Molecular Formula
C14H14O
Molecular Weight
198.260000
Exact Mass
198.104465
SMILES
CC1(CCC(=O)C2=C1C=CC(=C2)C#C)C
InChI
InChI=1S/C14H14O/c1-4-10-5-6-12-11(9-10)13(15)7-8-14(12,2)3/h1,5-6,9H,7-8H2,2-3H3
InChIKey
FSENXSHCDBCKEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
60.97
TPSA
17.07
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
3.1
Consensus LogP
2.86
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 166990-10-9 [2]Benzopyrano[4,3-a]carbazol-2-ol,1,2,3,4,4a,5,13,13c-octahydro-2,5,5,7-tetramethyl-, (2R,4aS,13cS)-rel-(-)-(9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[2]Benzopyrano[4,3-a]carbazol-2-ol,1,2,3,4,4a,5,13,13c-octahydro-2,5,5,7-tetramethyl-, (2R,4aS,13cS)-rel-(-)-(9CI)
- CAS RN: 166990-10-9
- Product Code: starshine_CAS166990-10-9
- Purity/Analytical method: >99.0%
-
(S)-N-[[3-(3,5-Difluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide
- CAS RN: 167010-30-2
- Product Code: starshine_CAS167010-30-2
- Purity/Analytical method: >99.0%
-
tetrahydro-2H-thiopyran-3-carboxylic acid 1,1-dioxide(SALTDATA: FREE)
- CAS RN: 167011-35-0
- Product Code: SSC-072866
-
-
-
(S)-(1-tosylaziridin-2-yl)methanol(WX191532)
- CAS RN: 167029-54-1
- Product Code: starshine_CAS167029-54-1
- Purity/Analytical method: >99.0%
![CAS 166990-10-9 [2]Benzopyrano[4,3-a]carbazol-2-ol,1,2,3,4,4a,5,13,13c-octahydro-2,5,5,7-tetramethyl-, (2R,4aS,13cS)-rel-(-)-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/166990-10-9.gif)
![CAS 167010-30-2 (S)-N-[[3-(3,5-Difluorophenyl)-2-oxo-5-oxazolidinyl]methyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/167010-30-2.gif)
