CAS RN: 1934823-87-6
2-Thiophenecarboxylic acid, 5-bromo-4-(fluorosulfonyl)-
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260110 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1934823-87-6
- Purity/Analytical Methods: >99.0%
1934823-87-6 / 5-bromo-4-fluorosulfonylthiophene-2-carboxylic acid
Basic Information
CAS
1934823-87-6
Multi CAS
No
Molecular Formula
C5H2BrFO4S2
Molecular Weight
289.100000
Exact Mass
287.856190
SMILES
C1=C(SC(=C1S(=O)(=O)F)Br)C(=O)O
InChI
InChI=1S/C5H2BrFO4S2/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9)
InChIKey
RBXUGCWTJMZCBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.27
TPSA
71.44
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
2.3
Consensus LogP
1.94
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-3.16
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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