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CAS 898566-17-1 2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene molecular structure lightbox
CAS RN: 898566-17-1

2-(4-Fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260513 250mg / 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-201965
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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: 25g
  • 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 898566-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

898566-17-1 / 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

Standard CAS: 898566-17-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898566-17-1
Multi CAS
No
Molecular Formula
C18FH14IS
Molecular Weight
408.300000
Exact Mass
407.984500
InChI
InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3
InChIKey
MGXZKAYHSITHMW-UHFFFAOYSA-N

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
96.42
TPSA
28.2000

LogP / Solubility

WLOGP
6.06
MLOGP
5.36
XLogP3
6.3
Consensus LogP
5.91
Log S (ESOL)
-6.59
Class (ESOL)
Insoluble
Log S (Ali)
-7.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.7
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)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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