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CAS 5543-27-1 (4-Bromophenyl)(pyrrolidin-1-yl)methanone molecular structure lightbox
CAS RN: 5543-27-1

(4-Bromophenyl)(pyrrolidin-1-yl)methanone

  • Product code: SSC-163335
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 0.1g, 0.25g, 1g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5543-27-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 3 In Stock Beijing Inquiry
0.1g ≥97% 2 In Stock Shenzhen Inquiry
0.25g ≥97% 2 In Stock Shanghai Inquiry
1g ≥97% 2 In Stock Shanghai Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

5543-27-1 / (4-bromophenyl)-pyrrolidin-1-ylmethanone

Standard CAS: 5543-27-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5543-27-1
Multi CAS
Yes
Molecular Formula
BC11H12ORn
Molecular Weight
254.120000
Exact Mass
253.010230
InChI
InChI=1S/C11H12BrNO/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2
InChIKey
HVTDUODOHGNXMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.28
TPSA
20.31

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

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

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