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CAS 144267-97-0 ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE molecular structure lightbox
CAS RN: 144267-97-0

ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE

  • Product code: SSC-055467
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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, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 144267-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

144267-97-0 / ethyl 2-bromo-4,5-difluorobenzoate

Standard CAS: 144267-97-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144267-97-0
Multi CAS
No
Molecular Formula
C9H7BrF2O2
Molecular Weight
265.050000
Exact Mass
263.959750
SMILES
CCOC(=O)C1=CC(=C(C=C1Br)F)F
InChI
InChI=1S/C9H7BrF2O2/c1-2-14-9(13)5-3-7(11)8(12)4-6(5)10/h3-4H,2H2,1H3
InChIKey
JPLCUBDTWNDHCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.01
TPSA
26.3

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3
Consensus LogP
2.82
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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