CAS RN: 1431850-88-2
ULTROXA® Poly(2-ethyl-2-oxazoline) Azide Terminated (n=approx. 50)
Product Availability
Available package options are listed below.
1 package records1 with current stock
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 100mg | In stock | Shanghai | Inquiry |
- Product code: ICTU0132
1431850-88-2 / N-[2-[2-[2-azidoethyl(propanoyl)amino]ethyl-propanoylamino]ethyl]-N-methylpropanamide
Basic Information
CAS
1431850-88-2
Multi CAS
No
Molecular Formula
C16H30N6O3
Molecular Weight
354.450000
Exact Mass
354.237939
SMILES
CCC(=O)N(C)CCN(CCN(CCN=[N+]=[N-])C(=O)CC)C(=O)CC
InChI
InChI=1S/C16H30N6O3/c1-5-14(23)20(4)10-11-22(16(25)7-3)13-12-21(15(24)6-2)9-8-18-19-17/h5-13H2,1-4H3
InChIKey
AUSNMRYGISYWQV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.81
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
95.68
TPSA
109.69
LogP / Solubility
WLOGP
1.64
MLOGP
1.46
XLogP3
1
Consensus LogP
1.37
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.77
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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