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CAS 501434-74-8 2,1,3-Benzothiadiazole, 4-broMo-7-(2-thienyl)- molecular structure lightbox
CAS RN: 501434-74-8

2,1,3-Benzothiadiazole, 4-broMo-7-(2-thienyl)-

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260215 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250103 10g Out of stock Inquiry
Batchno.20250122 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250901 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251208 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS501434-74-8
  • Purity/Analytical Methods: >99.0%
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501434-74-8 / 4-bromo-7-thiophen-2-yl-2,1,3-benzothiadiazole

Standard CAS: 501434-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501434-74-8
Multi CAS
No
Molecular Formula
BC10H5Rn2S2
Molecular Weight
297.200000
Exact Mass
295.907750
InChI
InChI=1S/C10H5BrN2S2/c11-7-4-3-6(8-2-1-5-14-8)9-10(7)13-15-12-9/h1-5H
InChIKey
VVQIEATVJBTJRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
68.43
TPSA
25.78

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
3.8
Consensus LogP
3.89
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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