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CAS 875160-08-0 2-CHLORO-N-[(4-FLUOROPHENYL)(THIEN-2-YL)METHYL]ACETAMIDE molecular structure lightbox
CAS RN: 875160-08-0

2-CHLORO-N-[(4-FLUOROPHENYL)(THIEN-2-YL)METHYL]ACETAMIDE

  • Product code: SSC-197587
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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: 0.25g
  • 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 875160-08-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

875160-08-0 / 2-chloro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide

Standard CAS: 875160-08-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
875160-08-0
Multi CAS
No
Molecular Formula
C13H11CLFNOS
Molecular Weight
283.750000
Exact Mass
283.023391
InChI
InChI=1S/C13H11ClFNOS/c14-8-12(17)16-13(11-2-1-7-18-11)9-3-5-10(15)6-4-9/h1-7,13H,8H2,(H,16,17)
InChIKey
ZYBZBHUOMMPHAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.42
TPSA
29.1

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.2
Consensus LogP
3.16
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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