CAS RN: 1563017-62-8
1-(5-Methylpyridin-2-yl)propan-1-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.20260214 | 500mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1563017-62-8
- Purity/Analytical Methods: >99.0%
1563017-62-8 / 1-(5-methyl-2-pyridinyl)propan-1-one
Basic Information
CAS
1563017-62-8
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CCC(=O)C1=NC=C(C=C1)C
InChI
InChI=1S/C9H11NO/c1-3-9(11)8-5-4-7(2)6-10-8/h4-6H,3H2,1-2H3
InChIKey
LVPBVDQDYKSLJL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.6
TPSA
29.96
LogP / Solubility
WLOGP
1.98
MLOGP
1.74
XLogP3
1.7
Consensus LogP
1.81
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1563332-28-4 4,7-dibromo-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4,7-dibromo-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole
- CAS RN: 1563332-28-4
- Product Code: starshine_CAS1563332-28-4
- Purity/Analytical method: >99.0%
-
4-bromo-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole
- CAS RN: 1563531-47-4
- Product Code: SSC-065360
-
-
(S)-1-(5-fluoro-2-((4-methoxybenzyl)oxy)phenyl)ethan-1-amine
- CAS RN: 1563601-55-7
- Product Code: starshine_CAS1563601-55-7
- Purity/Analytical method: >99.0%
-
3,4-Seco-3-oxobisabol-10-ene-4,1-olide
- CAS RN: 1564265-85-5
- Product Code: starshine_CAS1564265-85-5
- Purity/Analytical method: >99.0%
-
2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aMinocarbonyl)-, 1,1-diMethylethyl ester, (1R,3R,5R)-
- CAS RN: 1564266-54-1
- Product Code: SSC-065391
![CAS 1563332-28-4 4,7-dibromo-5,6-difluoro-2-(2-hexyldecyl)-2H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1563332-28-4.gif)
![CAS 1564266-54-1 2-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-(aMinocarbonyl)-, 1,1-diMethylethyl ester, (1R,3R,5R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1564266-54-1.gif)