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CAS 444915-77-9 [4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride molecular structure lightbox
CAS RN: 444915-77-9

[4-(Difluoromethyl)phenyl]methanol, 4-(Hydroxymethyl)benzal fluoride

  • Product code: SSC-152521
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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: 0.25g
  • 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 444915-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

444915-77-9 / [4-(difluoromethyl)phenyl]methanol

Standard CAS: 444915-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
444915-77-9
Multi CAS
No
Molecular Formula
C8F2H8O
Molecular Weight
158.140000
Exact Mass
158.054321
InChI
InChI=1S/C8H8F2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKey
YDYFWZBWPUDNAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.32
TPSA
20.23

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
1.8
Consensus LogP
1.93
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.18

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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