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CAS 1261768-93-7 2-BROMO-5-(DIFLUOROMETHOXY)PYRAZINE molecular structure lightbox
CAS RN: 1261768-93-7

2-BROMO-5-(DIFLUOROMETHOXY)PYRAZINE

  • Product code: SSC-032877
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 1261768-93-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1261768-93-7 / 2-bromo-5-(difluoromethoxy)pyrazine

Standard CAS: 1261768-93-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261768-93-7
Multi CAS
No
Molecular Formula
C5H3BrF2N2O
Molecular Weight
224.990000
Exact Mass
223.939680
SMILES
C1=C(N=CC(=N1)Br)OC(F)F
InChI
InChI=1S/C5H3BrF2N2O/c6-3-1-10-4(2-9-3)11-5(7)8/h1-2,5H
InChIKey
ZTWLOEJUYLLHCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
36.36
TPSA
35.01

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
2.1
Consensus LogP
1.85
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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