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CAS 50508-89-9 2-(Chloroacetylamino)-3-(o-chlorobenzoyl)-5-ethylthiophene molecular structure lightbox
CAS RN: 50508-89-9

2-(Chloroacetylamino)-3-(o-chlorobenzoyl)-5-ethylthiophene

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251021 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-157071
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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 50508-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

50508-89-9 / 2-chloro-N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]acetamide

Standard CAS: 50508-89-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50508-89-9
Multi CAS
Yes
Molecular Formula
C15H13CL2NO2S
Molecular Weight
342.200000
Exact Mass
341.004405
InChI
InChI=1S/C15H13Cl2NO2S/c1-2-9-7-11(15(21-9)18-13(19)8-16)14(20)10-5-3-4-6-12(10)17/h3-7H,2,8H2,1H3,(H,18,19)
InChIKey
RWDKLJQZPVCCTO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.93
TPSA
46.17

LogP / Solubility

WLOGP
4.37
MLOGP
3.86
XLogP3
5.1
Consensus LogP
4.44
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.11
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7

Drug-likeness / Medicinal Chemistry

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

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