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CAS 16296-72-3 5-BROMOBENZO[B]THIOPHENE-3-CARBALDEHYDE molecular structure lightbox
CAS RN: 16296-72-3

5-BROMOBENZO[B]THIOPHENE-3-CARBALDEHYDE

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260529 1g In stock Inquiry
Batchno.20251130 250mg In stock Inquiry
Batchno.20250105 25g In stock Inquiry
Batchno.20250401 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250901 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250401 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250805 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260410 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260307 25g In stock Shanghai Inquiry
Batchno.20250125 5g In stock Shanghai, Chengdu Inquiry
  • Product code: SSC-070486
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 16296-72-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

16296-72-3 / 5-bromo-1-benzothiophene-3-carbaldehyde

Standard CAS: 16296-72-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16296-72-3
Multi CAS
No
Molecular Formula
C9H5BrOS
Molecular Weight
241.110000
Exact Mass
239.924450
SMILES
C1=CC2=C(C=C1Br)C(=CS2)C=O
InChI
InChI=1S/C9H5BrOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-5H
InChIKey
LQLMHAYNFMAEHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.91
TPSA
17.07

LogP / Solubility

WLOGP
3.48
MLOGP
3.06
XLogP3
3.1
Consensus LogP
3.21
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.72

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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