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CAS 2245-30-9 3,3-DIMETHYL-1,2-EPOXYBUTANE molecular structure lightbox
CAS RN: 2245-30-9

3,3-DIMETHYL-1,2-EPOXYBUTANE

  • Product code: SSC-109636
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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: 1g
  • 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 2245-30-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2245-30-9 / 2-tert-butyloxirane

Standard CAS: 2245-30-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2245-30-9
Multi CAS
No
Molecular Formula
C6H12O
Molecular Weight
100.160000
Exact Mass
100.088815
SMILES
CC(C)(C)C1CO1
InChI
InChI=1S/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3
InChIKey
HEAYDCIZOFDHRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.19
TPSA
12.53

LogP / Solubility

WLOGP
1.43
MLOGP
1.25
XLogP3
1.6
Consensus LogP
1.43
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.31

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
2

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