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CAS 6921-35-3 3,3-DiMethyloxetane molecular structure lightbox
CAS RN: 6921-35-3

3,3-DiMethyloxetane

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260224 1ml In stock Shanghai Inquiry
  • Product code: LIND920725
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6921-35-3 / 3,3-dimethyloxetane

Standard CAS: 6921-35-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6921-35-3
Multi CAS
Yes
Molecular Formula
C5H10O
Molecular Weight
86.130000
Exact Mass
86.073165
InChI
InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3
InChIKey
RVGLUKRYMXEQAH-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
24.6
TPSA
9.23

LogP / Solubility

WLOGP
1.04
MLOGP
0.9
XLogP3
1
Consensus LogP
0.98
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.09
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)
-2.51

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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