CAS RN: 1354782-99-2
3-(4-formylphenyl)propanamide
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.20251231 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1354782-99-2
- Purity/Analytical Methods: >99.0%
1354782-99-2 / 3-(4-formylphenyl)propanamide
Basic Information
CAS
1354782-99-2
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
C1=CC(=CC=C1CCC(=O)N)C=O
InChI
InChI=1S/C10H11NO2/c11-10(13)6-5-8-1-3-9(7-12)4-2-8/h1-4,7H,5-6H2,(H2,11,13)
InChIKey
GRRCQJKVIQOFDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.34
TPSA
60.16
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.3
Consensus LogP
0.67
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-3.15
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 1354783-58-6 [4-(1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]amine hydrochloride molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[4-(1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]amine hydrochloride
- CAS RN: 1354783-58-6
- Product Code: SSC-043848
-
DMT1 blocker 1
- CAS RN: 1354790-56-9
- Product Code: starshine_CAS1354790-56-9
- Purity/Analytical method: >99.0%
-
-
(3-Methylpyrrolidin-3-Yl)Methanol Hydrochloride
- CAS RN: 1354792-84-9
- Product Code: SSC-043852
-
4-Methyl-4-piperidinemethanol hydrochloride
- CAS RN: 1354792-85-0
- Product Code: SSC-043853
-
5H-Pyrrolo[2,3-b:5,4-c’]dipyridine, 6,7,8,9-tetrahydro-, hydrochloride
- CAS RN: 1354801-06-1
- Product Code: SSC-043861
![CAS 1354783-58-6 [4-(1H-imidazol-1-yl)-3-(trifluoromethyl)phenyl]amine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1354783-58-6.gif)
![CAS 1354801-06-1 5H-Pyrrolo[2,3-b:5,4-c’]dipyridine, 6,7,8,9-tetrahydro-, hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1354801-06-1.gif)