CAS RN: 35891-99-7
2-(propylamino)-N-(p-tolyl)propanamide hydrochloride
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.20260107 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS35891-99-7
- Purity/Analytical Methods: >99.0%
35891-99-7 / N-(4-methylphenyl)-2-(propylamino)propanamide;hydrochloride
Basic Information
CAS
35891-99-7
Multi CAS
No
Molecular Formula
C13H21CLN2O
Molecular Weight
256.770000
Exact Mass
256.134241
InChI
InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-7-5-10(2)6-8-12;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H
InChIKey
IJFJVXIOYZRRKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.81
TPSA
41.13
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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