CAS RN: 941228-32-6
ULTROXA® Poly(2-propyl-2-oxazoline) (n=approx. 100)
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTP2508
941228-32-6 / N-[2-[butanoyl-[2-[butanoyl(2-hydroxyethyl)amino]ethyl]amino]ethyl]-N-methylbutanamide
Basic Information
CAS
941228-32-6
Multi CAS
No
Molecular Formula
C19H37N3O4
Molecular Weight
371.500000
Exact Mass
371.278407
InChI
InChI=1S/C19H37N3O4/c1-5-8-17(24)20(4)11-12-21(18(25)9-6-2)13-14-22(15-16-23)19(26)10-7-3/h23H,5-16H2,1-4H3
InChIKey
MBEULNUTPKRKBM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.84
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.61
TPSA
81.16
LogP / Solubility
WLOGP
1.49
MLOGP
1.34
XLogP3
0.5
Consensus LogP
1.11
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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