CAS RN: 23435-12-3
butanamide, 4-amino-N-methyl-
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.20250512 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS23435-12-3
- Purity/Analytical Methods: >99.0%
23435-12-3 / 4-amino-N-methylbutanamide
Basic Information
CAS
23435-12-3
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
SMILES
CNC(=O)CCCN
InChI
InChI=1S/C5H12N2O/c1-7-5(8)3-2-4-6/h2-4,6H2,1H3,(H,7,8)
InChIKey
IJUCBGPQWGGYBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.36
TPSA
55.12
LogP / Solubility
WLOGP
-0.53
MLOGP
-0.48
XLogP3
-1.1
Consensus LogP
-0.7
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.34
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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