CAS RN: 1014644-76-8
2-BROMO-3-FORMYL-5-CHLORO-THIOPHENE
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.20250724 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1014644-76-8
- Purity/Analytical Methods: >99.0%
1014644-76-8 / 2-bromo-5-chlorothiophene-3-carbaldehyde
2-bromo-5-chlorothiophene-3-carbaldehyde | 2-bromo-5-chloro-3-thiophenecarboxaldehyde | 2-Bromo-3-formyl-5-chloro-thiophene
Basic Information
CAS
1014644-76-8
Multi CAS
No
Molecular Formula
C5H2BrClOS
Molecular Weight
225.490000
Exact Mass
223.869830
SMILES
C1=C(SC(=C1C=O)Br)Cl
InChI
InChI=1S/C5H2BrClOS/c6-5-3(2-8)1-4(7)9-5/h1-2H
InChIKey
MZQPJXYLOGFQIZ-UHFFFAOYSA-N
Synonyms
2-bromo-5-chlorothiophene-3-carbaldehyde
2-bromo-5-chloro-3-thiophenecarboxaldehyde
2-Bromo-3-formyl-5-chloro-thiophene
3-Thiophenecarboxaldehyde, 2-bromo-5-chloro-
2-bromo-5-chloro-thiophene-3-carbaldehyde
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.42
TPSA
17.07
LogP / Solubility
WLOGP
2.98
MLOGP
2.62
XLogP3
3.1
Consensus LogP
2.9
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
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)
-1.98
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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