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CAS 1228690-56-9 1-(2,3-Difluorophenyl)ethanol molecular structure lightbox
CAS RN: 1228690-56-9

1-(2,3-Difluorophenyl)ethanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-026514
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 5g, 10g, 0.25g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1228690-56-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
0.1g >95% 3 In Stock Shenzhen Inquiry
5g >95% 3 In Stock Beijing Inquiry
10g >95% 3 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
25g >95% 2 In Stock Beijing Inquiry

1228690-56-9 / 1-(2,3-difluorophenyl)ethanol

Standard CAS: 1228690-56-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228690-56-9
Multi CAS
No
Molecular Formula
C8H8F2O
Molecular Weight
158.140000
Exact Mass
158.054321
SMILES
CC(C1=C(C(=CC=C1)F)F)O
InChI
InChI=1S/C8H8F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3
InChIKey
IWMIWBJLOWDKSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.99
TPSA
20.23

LogP / Solubility

WLOGP
2.02
MLOGP
1.77
XLogP3
1.6
Consensus LogP
1.8
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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