CAS RN: 78553-70-5
utanamide, N,N’-1,4-butanediylbis[3-oxo-
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.20250627 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS78553-70-5
- Purity/Analytical Methods: >99.0%
78553-70-5 / 3-oxo-N-[4-(3-oxobutanoylamino)butyl]butanamide
Basic Information
CAS
78553-70-5
Multi CAS
No
Molecular Formula
C12H20N2O4
Molecular Weight
256.300000
Exact Mass
256.142307
InChI
InChI=1S/C12H20N2O4/c1-9(15)7-11(17)13-5-3-4-6-14-12(18)8-10(2)16/h3-8H2,1-2H3,(H,13,17)(H,14,18)
InChIKey
WOBHRMCWNBRQFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
65.85
TPSA
92.34
LogP / Solubility
WLOGP
-0.04
MLOGP
-0.03
XLogP3
-0.7
Consensus LogP
-0.26
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS78554-67-3
- Purity/Analytical method: >99.0%
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