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CAS 1123786-79-7 2-(3-fluorooxetan-3-yl)ethanol molecular structure lightbox
CAS RN: 1123786-79-7

2-(3-fluorooxetan-3-yl)ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-012809
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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 1123786-79-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1123786-79-7 / 2-(3-fluorooxetan-3-yl)ethanol

2-(3-Fluorooxetan-3-yl)ethan-1-ol | RefChem:455552 | 979-574-8

Standard CAS: 1123786-79-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1123786-79-7
Multi CAS
No
Molecular Formula
C5H9FO2
Molecular Weight
120.120000
Exact Mass
120.058658
SMILES
C1C(CO1)(CCO)F
InChI
InChI=1S/C5H9FO2/c6-5(1-2-7)3-8-4-5/h7H,1-4H2
InChIKey
UBXQNBYHOSKHKT-UHFFFAOYSA-N
Synonyms
2-(3-Fluorooxetan-3-yl)ethan-1-ol RefChem:455552 979-574-8 2-(3-FLUOROOXETAN-3-YL)ETHANOL MFCD17215854

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.36
TPSA
29.46

LogP / Solubility

WLOGP
0.11
MLOGP
0.08
XLogP3
-0.2
Consensus LogP
0.0000
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
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)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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