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CAS 1030825-20-7 2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene molecular structure lightbox
CAS RN: 1030825-20-7

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 100g In stock Inquiry
Batchno.20260215 1g In stock Inquiry
Batchno.20250505 25g In stock Inquiry
Batchno.20250920 5g In stock Inquiry
  • Product code: SSC-004521
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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, 10g, 25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • 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 1030825-20-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Hong Kong Inquiry
10g ≥97% 2 In Stock Hong Kong Inquiry
25g ≥97% 1 In Stock Hong Kong Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

1030825-20-7 / 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene

2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene | 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene | W76HXE3GL5

Standard CAS: 1030825-20-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1030825-20-7
Multi CAS
No
Molecular Formula
C18H14BrFS
Molecular Weight
361.300000
Exact Mass
359.998360
SMILES
CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChIKey
VLRIERSBZHUCOW-UHFFFAOYSA-N
Synonyms
2-(5-Bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene W76HXE3GL5 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene DTXSID10677368

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
91.4
TPSA
28.2000

LogP / Solubility

WLOGP
6.22
MLOGP
5.49
XLogP3
6.4
Consensus LogP
6.04
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (50%): 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, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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