CAS RN: 560993-95-5
5-thiophen-3-yl-furan-2-carboxylic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS560993-95-5
- Purity/Analytical Methods: >99.0%
560993-95-5 / 5-thiophen-3-ylfuran-2-carboxylic acid
Basic Information
CAS
560993-95-5
Multi CAS
No
Molecular Formula
C9H6O3S
Molecular Weight
194.210000
Exact Mass
194.003765
InChI
InChI=1S/C9H6O3S/c10-9(11)8-2-1-7(12-8)6-3-4-13-5-6/h1-5H,(H,10,11)
InChIKey
JBPGCCPYLDMCHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.98
TPSA
50.44
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
2.2
Consensus LogP
2.43
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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