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CAS 855715-46-7 Acetamide, N-(2-acetyl-3-benzofuranyl)-2-chloro- molecular structure lightbox
CAS RN: 855715-46-7

Acetamide, N-(2-acetyl-3-benzofuranyl)-2-chloro-

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260128 1g In stock Shanghai Inquiry
Batchno.20250707 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251002 5g In stock Shanghai Inquiry
  • Product code: SSC-194015
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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 855715-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

855715-46-7 / N-(2-acetyl-1-benzofuran-3-yl)-2-chloroacetamide

Standard CAS: 855715-46-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
855715-46-7
Multi CAS
No
Molecular Formula
C12H10CLNO3
Molecular Weight
251.660000
Exact Mass
251.034921
InChI
InChI=1S/C12H10ClNO3/c1-7(15)12-11(14-10(16)6-13)8-4-2-3-5-9(8)17-12/h2-5H,6H2,1H3,(H,14,16)
InChIKey
GJOKGQKLBFSLCP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.57
TPSA
59.31

LogP / Solubility

WLOGP
2.81
MLOGP
2.48
XLogP3
2.7
Consensus LogP
2.66
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-2.26

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
1.5

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