CAS RN: 53101-20-5
N,N-dimethylpent-4-ynamide
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.20251128 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53101-20-5
- Purity/Analytical Methods: >99.0%
53101-20-5 / N,N-dimethylpent-4-ynamide
Basic Information
CAS
53101-20-5
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
InChI
InChI=1S/C7H11NO/c1-4-5-6-7(9)8(2)3/h1H,5-6H2,2-3H3
InChIKey
YFYSMOHZDAWQHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
36.76
TPSA
20.31
LogP / Solubility
WLOGP
0.49
MLOGP
0.42
XLogP3
0.2
Consensus LogP
0.37
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.12
Class (SILICOS-IT)
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)
-3.14
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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