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CAS 1609489-94-2 2-(3-methoxyoxetan-3-yl)ethan-1-ol molecular structure lightbox
CAS RN: 1609489-94-2

2-(3-methoxyoxetan-3-yl)ethan-1-ol

  • Product code: SSC-068706
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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 1609489-94-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1609489-94-2 / 2-(3-methoxyoxetan-3-yl)ethanol

Standard CAS: 1609489-94-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1609489-94-2
Multi CAS
No
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
SMILES
COC1(COC1)CCO
InChI
InChI=1S/C6H12O3/c1-8-6(2-3-7)4-9-5-6/h7H,2-5H2,1H3
InChIKey
VTUNHKACBUEYGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.26
TPSA
38.69

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.7
Consensus LogP
-0.37
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-3.68

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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