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CAS 1034305-17-3 Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]- molecular structure lightbox
CAS RN: 1034305-17-3

Benzo[b]thiophene, 2-[(5-broMo-2-fluorophenyl)Methyl]-

Product Availability

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5 package records5 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250126 1g In stock Inquiry
Batchno.20260517 250mg In stock Inquiry
Batchno.20251128 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260401 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260506 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-004963
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1034305-17-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1034305-17-3 / 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene

2-(5-Bromo-2-fluorobenzyl)benzo[b]thiophene | 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene | 2-(5-Bromo-2-fluorobenzyl)benzothiophene

Standard CAS: 1034305-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1034305-17-3
Multi CAS
No
Molecular Formula
C15H10BrFS
Molecular Weight
321.200000
Exact Mass
319.967060
SMILES
C1=CC=C2C(=C1)C=C(S2)CC3=C(C=CC(=C3)Br)F
InChI
InChI=1S/C15H10BrFS/c16-12-5-6-14(17)11(7-12)9-13-8-10-3-1-2-4-15(10)18-13/h1-8H,9H2
InChIKey
IKGTVOQAJKYBGO-UHFFFAOYSA-N
Synonyms
2-(5-Bromo-2-fluorobenzyl)benzo[b]thiophene 2-[(5-bromo-2-fluorophenyl)methyl]-1-benzothiophene 2-(5-Bromo-2-fluorobenzyl)benzothiophene MFCD28144826 Benzo[b]thiophene, 2-[(5-bromo-2-fluorophenyl)methyl]-

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
78.73
TPSA
28.2000

LogP / Solubility

WLOGP
5.39
MLOGP
4.76
XLogP3
5.7
Consensus LogP
5.28
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble

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)
-0.85

Drug-likeness / Medicinal Chemistry

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

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