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CAS 1309922-61-9 5-(7-bromobenzo[c][1,2,5]thiadiazol-4-yl)thiophene-2-carbaldehyde molecular structure lightbox
CAS RN: 1309922-61-9

5-(7-bromobenzo[c][1,2,5]thiadiazol-4-yl)thiophene-2-carbaldehyde

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg In stock Shanghai Inquiry
Batchno.20250513 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20251231 1g Out of stock Inquiry
Batchno.20250605 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1309922-61-9
  • Purity/Analytical Methods: >99.0%
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1309922-61-9 / 5-(4-bromo-2,1,3-benzothiadiazol-7-yl)thiophene-2-carbaldehyde

Standard CAS: 1309922-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1309922-61-9
Multi CAS
No
Molecular Formula
C11H5BrN2OS2
Molecular Weight
325.200000
Exact Mass
323.902670
SMILES
C1=C(SC(=C1)C2=CC=C(C3=NSN=C23)Br)C=O
InChI
InChI=1S/C11H5BrN2OS2/c12-8-3-2-7(10-11(8)14-17-13-10)9-4-1-6(5-15)16-9/h1-5H
InChIKey
YQPFCPKXTYDRDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
73.82
TPSA
42.85

LogP / Solubility

WLOGP
3.99
MLOGP
3.53
XLogP3
3.6
Consensus LogP
3.71
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87

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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