CAS RN: 161358-46-9
ULTROXA® Poly(2-methyl-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.20260504 | 50mg | In stock | Shanghai | Inquiry |
- Product code: ICTP2506
161358-46-9 / N-[2-[acetyl-[2-[acetyl(2-hydroxyethyl)amino]ethyl]amino]ethyl]-N-methylacetamide
Basic Information
CAS
161358-46-9
Multi CAS
No
Molecular Formula
C13H25N3O4
Molecular Weight
287.360000
Exact Mass
287.184506
SMILES
CC(=O)N(C)CCN(CCN(CCO)C(=O)C)C(=O)C
InChI
InChI=1S/C13H25N3O4/c1-11(18)14(4)5-6-15(12(2)19)7-8-16(9-10-17)13(3)20/h17H,5-10H2,1-4H3
InChIKey
CJNITEDCXIJQJY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.77
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.9
TPSA
81.16
LogP / Solubility
WLOGP
-0.85
MLOGP
-0.73
XLogP3
-2
Consensus LogP
-1.19
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-5.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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