CAS RN: 93469-29-5
N-(3-AMINOPHENYL)BUTANAMIDE
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.20250320 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93469-29-5
- Purity/Analytical Methods: >99.0%
93469-29-5 / N-(3-aminophenyl)butanamide
Basic Information
CAS
93469-29-5
Multi CAS
Yes
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
InChI
InChI=1S/C10H14N2O/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4,11H2,1H3,(H,12,13)
InChIKey
DRXFARCOYOPZDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.39
TPSA
55.12
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
1.4
Consensus LogP
1.72
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.38
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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