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CAS 10242-62-3 3-methylideneoxetane molecular structure lightbox
CAS RN: 10242-62-3

3-methylideneoxetane

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250621 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS10242-62-3
  • Purity/Analytical Methods: >99.0%
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10242-62-3 / 3-methylideneoxetane

3-methylideneoxetane | Oxetane, 3-methylene- | 3-methyleneoxetane

Standard CAS: 10242-62-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10242-62-3
Multi CAS
Yes
Molecular Formula
C4H6O
Molecular Weight
70.090000
Exact Mass
70.041865
SMILES
C=C1COC1
InChI
InChI=1S/C4H6O/c1-4-2-5-3-4/h1-3H2
InChIKey
FONJUXZYNZCFSE-UHFFFAOYSA-N
Synonyms
3-methylideneoxetane Oxetane, 3-methylene- 3-methyleneoxetane Oxetane, 3-methylene MFCD31728327

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
1
Molar refractivity
19.96
TPSA
9.23

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
-0.1
Consensus LogP
0.32
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

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