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CAS 72652-32-5 1-(4-BROMO-1H-PYRROL-2-YL)-2,2,2-TRICHLORO-1-ETHANONE molecular structure lightbox
CAS RN: 72652-32-5

1-(4-BROMO-1H-PYRROL-2-YL)-2,2,2-TRICHLORO-1-ETHANONE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 100mg In stock Shanghai Inquiry
Batchno.20260407 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250422 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260303 5g In stock Chengdu Inquiry
  • Product code: SSC-182150
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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 72652-32-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

72652-32-5 / 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone

Standard CAS: 72652-32-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72652-32-5
Multi CAS
Yes
Molecular Formula
C6H3BRCL3NO
Molecular Weight
291.400000
Exact Mass
288.846360
InChI
InChI=1S/C6H3BrCl3NO/c7-3-1-4(11-2-3)5(12)6(8,9)10/h1-2,11H
InChIKey
CQLTVLIUJXOOGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.11
TPSA
32.86

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.3
Consensus LogP
3.19
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly 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)
-2.13

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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