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CAS 73742-16-2 Ethanone, 2-bromo-1-(1H-pyrrol-2-yl)- (9CI) molecular structure lightbox
CAS RN: 73742-16-2

Ethanone, 2-bromo-1-(1H-pyrrol-2-yl)- (9CI)

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250325 1g In stock Inquiry
Batchno.20250219 250mg In stock Inquiry
Batchno.20250213 50mg In stock Inquiry
  • Product code: SSC-183148
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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: 1g
  • 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 73742-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

73742-16-2 / 2-bromo-1-(1H-pyrrol-2-yl)ethanone

Standard CAS: 73742-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
73742-16-2
Multi CAS
No
Molecular Formula
BC6H6ORn
Molecular Weight
188.020000
Exact Mass
186.963280
InChI
InChI=1S/C6H6BrNO/c7-4-6(9)5-2-1-3-8-5/h1-3,8H,4H2
InChIKey
LNXJNRIRUXVBHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.92
TPSA
32.86

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-2.74

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
1.5

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