CAS RN: 941717-10-8
2-Pyridin-4-ylcyclopropanecarboxaldehyde, tech
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.20250227 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS941717-10-8
- Purity/Analytical Methods: >99.0%
941717-10-8 / 2-pyridin-4-ylcyclopropane-1-carbaldehyde
Basic Information
CAS
941717-10-8
Multi CAS
No
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
InChI
InChI=1S/C9H9NO/c11-6-8-5-9(8)7-1-3-10-4-2-7/h1-4,6,8-9H,5H2
InChIKey
AAYIHILOKBYQEP-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
41.15
TPSA
29.96
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
0.5
Consensus LogP
1.03
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.64
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
2.5
Customers Also Viewed
-
1-(5-amino-2-methylphenyl)piperidin-2-one
- CAS RN: 941868-25-3
- Product Code: starshine_CAS941868-25-3
- Purity/Analytical method: >99.0%
-
-
[1-(4-Fluorobenzyl)-2-mercapto-1H-imidazol-5-yl]methanol
- CAS RN: 941868-96-8
- Product Code: starshine_CAS941868-96-8
- Purity/Analytical method: >99.0%
-
1-(4-Fluorobenzyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
- CAS RN: 941869-20-1
- Product Code: SSC-208746
-
-
![CAS 941868-27-5 6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/941868-27-5.gif)
![CAS 941868-96-8 [1-(4-Fluorobenzyl)-2-mercapto-1H-imidazol-5-yl]methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/941868-96-8.gif)
