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CAS 621-38-5 3′-BROMOACETANILIDE molecular structure lightbox
CAS RN: 621-38-5

3′-BROMOACETANILIDE

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260519 100g In stock Inquiry
Batchno.20250323 25g In stock Inquiry
Batchno.20250430 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-171152
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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 621-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

621-38-5 / N-(3-bromophenyl)acetamide

Standard CAS: 621-38-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
621-38-5
Multi CAS
Yes
Molecular Formula
BC8H8ORn
Molecular Weight
214.060000
Exact Mass
212.978930
InChI
InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey
XXHOHJTVFUJJMT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.45
TPSA
29.1

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.3
Consensus LogP
2.28
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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