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CAS 1071929-08-2 (5-(4-Fluorophenyl)thiophen-2-yl)(5-iodo-2-Methylphenyl)Methanone molecular structure lightbox
CAS RN: 1071929-08-2

(5-(4-Fluorophenyl)thiophen-2-yl)(5-iodo-2-Methylphenyl)Methanone

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-008647
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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: 5g
  • Available purity: ≥95%
  • 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 1071929-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1071929-08-2 / [5-(4-fluorophenyl)thiophen-2-yl]-(5-iodo-2-methylphenyl)methanone

[5-(4-Fluorophenyl)-2-thienyl](5-iodo-2-methylphenyl)methanone | (5-(4-Fluorophenyl)-2-thienyl)(5-iodo-2-methylphenyl)methanone | RefChem:209341

Standard CAS: 1071929-08-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1071929-08-2
Multi CAS
No
Molecular Formula
C18H12FIOS
Molecular Weight
422.300000
Exact Mass
421.963760
SMILES
CC1=C(C=C(C=C1)I)C(=O)C2=CC=C(S2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H12FIOS/c1-11-2-7-14(20)10-15(11)18(21)17-9-8-16(22-17)12-3-5-13(19)6-4-12/h2-10H,1H3
InChIKey
UCEUYWYTFYVWBY-UHFFFAOYSA-N
Synonyms
[5-(4-Fluorophenyl)-2-thienyl](5-iodo-2-methylphenyl)methanone (5-(4-Fluorophenyl)-2-thienyl)(5-iodo-2-methylphenyl)methanone RefChem:209341 924-156-2 (5-(4-Fluorophenyl)thiophen-2-yl)(5-iodo-2-methylphenyl)methanone

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
97.04
TPSA
17.07

LogP / Solubility

WLOGP
5.7
MLOGP
5.04
XLogP3
6.1
Consensus LogP
5.61
Log S (ESOL)
-6.42
Class (ESOL)
Insoluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
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)
-1.25

Drug-likeness / Medicinal Chemistry

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

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