CAS RN: 1015071-22-3
5-Fluoro-2,3-thiophenedicarboxaldehyde
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.20250818 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1015071-22-3
- Purity/Analytical Methods: >99.0%
1015071-22-3 / 5-fluorothiophene-2,3-dicarbaldehyde
5-Fluoro-2,3-thiophenedicarboxaldehyde | RefChem:535737 | 631-298-6
Basic Information
CAS
1015071-22-3
Multi CAS
Yes
Molecular Formula
C6H3FO2S
Molecular Weight
158.150000
Exact Mass
157.983779
SMILES
C1=C(SC(=C1C=O)C=O)F
InChI
InChI=1S/C6H3FO2S/c7-6-1-4(2-8)5(3-9)10-6/h1-3H
InChIKey
UHZWVDHHMHBMDX-UHFFFAOYSA-N
Synonyms
5-Fluoro-2,3-thiophenedicarboxaldehyde
RefChem:535737
631-298-6
5-fluorothiophene-2,3-dicarbaldehyde
MFCD15143649
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
35.05
TPSA
34.14
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.3
Consensus LogP
1.38
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.18
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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
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