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CAS 1934413-84-9 6-bromopyridine-2-sulfonyl fluoride molecular structure lightbox
CAS RN: 1934413-84-9

6-bromopyridine-2-sulfonyl fluoride

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251129 100mg In stock Shenzhen Inquiry
Batchno.20251124 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260107 1g In stock Shenzhen Inquiry
Batchno.20260627 250mg Out of stock Inquiry
  • Product code: starshine_CAS1934413-84-9
  • Purity/Analytical Methods: >99.0%
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1934413-84-9 / 6-bromopyridine-2-sulfonyl fluoride

Standard CAS: 1934413-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1934413-84-9
Multi CAS
No
Molecular Formula
C5H3BrFNO2S
Molecular Weight
240.050000
Exact Mass
238.905190
SMILES
C1=CC(=NC(=C1)Br)S(=O)(=O)F
InChI
InChI=1S/C5H3BrFNO2S/c6-4-2-1-3-5(8-4)11(7,9)10/h1-3H
InChIKey
RDFVBVFJHZEHRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.23
TPSA
47.03

LogP / Solubility

WLOGP
1.5
MLOGP
1.33
XLogP3
2
Consensus LogP
1.61
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-3.12

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
1.5

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