CAS RN: 10268-79-8
N-(2-aminophenyl)propanamide
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.20250314 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS10268-79-8
- Purity/Analytical Methods: >99.0%
10268-79-8 / N-(2-aminophenyl)propanamide
N-(2-AMINOPHENYL)PROPANAMIDE | N-(2-Aminophenyl)propionamide | MFCD09044881
Basic Information
CAS
10268-79-8
Multi CAS
No
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
SMILES
CCC(=O)NC1=CC=CC=C1N
InChI
InChI=1S/C9H12N2O/c1-2-9(12)11-8-6-4-3-5-7(8)10/h3-6H,2,10H2,1H3,(H,11,12)
InChIKey
PORLKFMRMIPKOR-UHFFFAOYSA-N
Synonyms
N-(2-AMINOPHENYL)PROPANAMIDE
N-(2-Aminophenyl)propionamide
MFCD09044881
starbld0001105
SCHEMBL2759631
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.78
TPSA
55.12
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
0.9
Consensus LogP
1.31
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.57
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
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- Purity/Analytical method: >99.0%
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