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CAS 75853-20-2 2,5-Difluorobenzyl Alcohol molecular structure lightbox
CAS RN: 75853-20-2

2,5-Difluorobenzyl Alcohol

  • Product code: SSC-185288
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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: ≥97%
  • 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 75853-20-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

75853-20-2 / (2,5-difluorophenyl)methanol

Standard CAS: 75853-20-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75853-20-2
Multi CAS
No
Molecular Formula
C7F2H6O
Molecular Weight
144.120000
Exact Mass
144.038671
InChI
InChI=1S/C7H6F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
KIKCAPPVFQLOIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.28
TPSA
20.23

LogP / Solubility

WLOGP
1.46
MLOGP
1.28
XLogP3
1.2
Consensus LogP
1.31
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.56

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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