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CAS 286440-92-4 Benzeneethanol, 3,4-difluoro- (9CI) molecular structure lightbox
CAS RN: 286440-92-4

Benzeneethanol, 3,4-difluoro- (9CI)

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251021 100mg In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250117 1g Out of stock Inquiry
Batchno.20250714 250mg In stock Chengdu Inquiry
  • Product code: SSC-130146
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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 286440-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

286440-92-4 / 2-(3,4-difluorophenyl)ethanol

Standard CAS: 286440-92-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
286440-92-4
Multi CAS
No
Molecular Formula
C8F2H8O
Molecular Weight
158.140000
Exact Mass
158.054321
InChI
InChI=1S/C8H8F2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2
InChIKey
LQIZHIYYOQHWNF-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
37.15
TPSA
20.23

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-2.62

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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