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CAS 66204-44-2 3,3′-methylenebis[5-methyloxazolidine] molecular structure lightbox
CAS RN: 66204-44-2

3,3′-methylenebis[5-methyloxazolidine]

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  • Product code: starshine_CAS66204-44-2
  • Purity/Analytical Methods: >99.0%
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66204-44-2 / 5-methyl-3-[(5-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine

Standard CAS: 66204-44-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
66204-44-2
Multi CAS
Yes
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
InChI
InChI=1S/C9H18N2O2/c1-8-3-10(6-12-8)5-11-4-9(2)13-7-11/h8-9H,3-7H2,1-2H3
InChIKey
BNKGKERDFRIJPU-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.11
TPSA
24.94

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.7
Consensus LogP
0.42
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
Class (SILICOS-IT)
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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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