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CAS 62249-80-3 (S)-2-VINYL-OXIRANE molecular structure lightbox
CAS RN: 62249-80-3

(S)-2-VINYL-OXIRANE

  • Product code: SSC-171349
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 62249-80-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

62249-80-3 / 2-ethenyloxirane

Standard CAS: 62249-80-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62249-80-3
Multi CAS
Yes
Molecular Formula
C4H6O
Molecular Weight
70.090000
Exact Mass
70.041865
InChI
InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2/t4-/m0/s1
InChIKey
GXBYFVGCMPJVJX-BYPYZUCNSA-N

Physical Properties

Melting Point
-211 °F (NTP, 1992) -135 deg
Boiling Point
149 to 151 °F at 760 mmHg (NTP, 1992) 68 °C
Density
0.87 (NTP, 1992) - Less dense than water; will float 0.9006 g/cu cm @ 25 °C
Physical Description
1,2-epoxy-3-butene is a clear light yellow liquid. (NTP, 1992) Light yellow liquid; [CAMEO] Colorless liquid
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
19.94
TPSA
12.53

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
0.5
Consensus LogP
0.52
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
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
1.5

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