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CAS 228580-15-2 (2,2-Difluoro-1-hydroxymethyl-cyclopropyl)-methanol molecular structure lightbox
CAS RN: 228580-15-2

(2,2-Difluoro-1-hydroxymethyl-cyclopropyl)-methanol

  • Product code: SSC-111221
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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 228580-15-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

228580-15-2 / [2,2-difluoro-1-(hydroxymethyl)cyclopropyl]methanol

Standard CAS: 228580-15-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228580-15-2
Multi CAS
No
Molecular Formula
C5H8F2O2
Molecular Weight
138.110000
Exact Mass
138.049236
SMILES
C1C(C1(F)F)(CO)CO
InChI
InChI=1S/C5H8F2O2/c6-5(7)1-4(5,2-8)3-9/h8-9H,1-3H2
InChIKey
UGYHPZDRTHTYAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.17
TPSA
40.46

LogP / Solubility

MLOGP
-0.01
XLogP3
-0.2
Consensus LogP
-0.07
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.79
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)
-3.57

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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