CAS RN: 26375-28-0

ULTROXA[R] Poly(2-methyl-2-oxazoline) (n=approx. 100)

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  • Product code: starshine_CAS26375-28-0
  • Purity/Analytical Methods: >99.0%
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26375-28-0 / 2-methyl-4,5-dihydro-1,3-oxazole

Standard CAS: 26375-28-0 Multi CAS: No

Basic Information

CAS
26375-28-0
Multi CAS
No
Molecular Formula
C4H7NO
Molecular Weight
85.100000
Exact Mass
85.052764
SMILES
CC1=NCCO1
InChI
InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
InChIKey
GUXJXWKCUUWCLX-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
23.93
TPSA
21.59

LogP / Solubility

WLOGP
0.44
MLOGP
0.37
XLogP3
-0.2
Consensus LogP
0.2
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.57
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.57
Class (SILICOS-IT)
Very 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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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