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CAS 756520-66-8 1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHANOL molecular structure lightbox
CAS RN: 756520-66-8

1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHANOL

  • Product code: SSC-185089
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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, 10g, 25g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 756520-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 4 In Stock Beijing Inquiry
5g >97% 2 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Shanghai Inquiry

756520-66-8 / (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol

Standard CAS: 756520-66-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
756520-66-8
Multi CAS
Yes
Molecular Formula
C8H7CL2FO
Molecular Weight
209.040000
Exact Mass
207.985798
InChI
InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
InChIKey
JAOYKRSASYNDGH-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.05
TPSA
20.23

LogP / Solubility

WLOGP
3.19
MLOGP
2.8
XLogP3
2.8
Consensus LogP
2.93
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly 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)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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