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CAS 1214900-62-5 1-(4-BroMo-2,6-difluoro-phenyl)-ethanol molecular structure lightbox
CAS RN: 1214900-62-5

1-(4-BroMo-2,6-difluoro-phenyl)-ethanol

  • Product code: SSC-023964
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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, 0.25g, 5g
  • 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 1214900-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 3 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shenzhen Inquiry

1214900-62-5 / 1-(4-bromo-2,6-difluorophenyl)ethanol

Standard CAS: 1214900-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214900-62-5
Multi CAS
No
Molecular Formula
C8H7BrF2O
Molecular Weight
237.040000
Exact Mass
235.964830
SMILES
CC(C1=C(C=C(C=C1F)Br)F)O
InChI
InChI=1S/C8H7BrF2O/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4,12H,1H3
InChIKey
UTNQRIXFILAHIG-UHFFFAOYSA-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
44.69
TPSA
20.23

LogP / Solubility

WLOGP
2.78
MLOGP
2.45
XLogP3
2.3
Consensus LogP
2.51
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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