[email protected]
CAS 1936650-56-4 2-Thiophenecarboxylic acid, 4-bromo-5-(fluorosulfonyl)- molecular structure lightbox
CAS RN: 1936650-56-4

2-Thiophenecarboxylic acid, 4-bromo-5-(fluorosulfonyl)-

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260509 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250807 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1936650-56-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1936650-56-4 / 4-bromo-5-fluorosulfonylthiophene-2-carboxylic acid

Standard CAS: 1936650-56-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936650-56-4
Multi CAS
No
Molecular Formula
C5H2BrFO4S2
Molecular Weight
289.100000
Exact Mass
287.856190
SMILES
C1=C(SC(=C1Br)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C5H2BrFO4S2/c6-2-1-3(4(8)9)12-5(2)13(7,10)11/h1H,(H,8,9)
InChIKey
JHSLZHGQWMNZEB-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

Customers Also Viewed

Get In Touch

Contact Us