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CAS 36155-82-5 3-Bromo-5-methyl-2-thiophenecarboxaldehyde molecular structure lightbox
CAS RN: 36155-82-5

3-Bromo-5-methyl-2-thiophenecarboxaldehyde

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250124 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250520 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250820 5g In stock Shanghai, Shenzhen, Wuhan Inquiry
  • Product code: starshine_CAS36155-82-5
  • Purity/Analytical Methods: >99.0%
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36155-82-5 / 3-bromo-5-methylthiophene-2-carbaldehyde

Standard CAS: 36155-82-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
36155-82-5
Multi CAS
Yes
Molecular Formula
C6H5BROS
Molecular Weight
205.070000
Exact Mass
203.924450
InChI
InChI=1S/C6H5BrOS/c1-4-2-5(7)6(3-8)9-4/h2-3H,1H3
InChIKey
ZKIPMYBKNJQSKR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
42.14
TPSA
17.07

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
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)
-2.1

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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