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CAS 1141669-85-3 1-(5-Bromo-3-fluoropyridin-2-yl)piperazine molecular structure lightbox
CAS RN: 1141669-85-3

1-(5-Bromo-3-fluoropyridin-2-yl)piperazine

  • Product code: SSC-014044
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1141669-85-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1141669-85-3 / 1-(5-bromo-3-fluoro-2-pyridinyl)piperazine

1-(5-BROMO-3-FLUOROPYRIDIN-2-YL)PIPERAZINE | 1-(5-Bromo-3-fluoro-2-pyridyl)piperazine | MFCD12198842

Standard CAS: 1141669-85-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1141669-85-3
Multi CAS
Yes
Molecular Formula
C9H11BrFN3
Molecular Weight
260.110000
Exact Mass
259.012040
SMILES
C1CN(CCN1)C2=C(C=C(C=N2)Br)F
InChI
InChI=1S/C9H11BrFN3/c10-7-5-8(11)9(13-6-7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKey
UUCKXISMUUDBLO-UHFFFAOYSA-N
Synonyms
1-(5-BROMO-3-FLUOROPYRIDIN-2-YL)PIPERAZINE 1-(5-Bromo-3-fluoro-2-pyridyl)piperazine MFCD12198842 Piperazine, 1-(5-bromo-3-fluoro-2-pyridinyl)- 1-(5-BROMO-3-FLUORO-2-PYRIDINYL)PIPERAZINE

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.98
TPSA
28.16

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

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

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