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CAS 827628-42-2 1-(5-broMopyridin-2-yl)cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 827628-42-2

1-(5-broMopyridin-2-yl)cyclopropanecarboxylic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260423 100mg In stock Shanghai Inquiry
Batchno.20251018 1g In stock Shanghai Inquiry
Batchno.20250703 250mg In stock Shanghai Inquiry
  • Product code: SSC-190827
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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 827628-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

827628-42-2 / 1-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylic acid

Standard CAS: 827628-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
827628-42-2
Multi CAS
No
Molecular Formula
BC9H8O2Rn
Molecular Weight
242.070000
Exact Mass
240.973840
InChI
InChI=1S/C9H8BrNO2/c10-6-1-2-7(11-5-6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKey
CJGBXRYQRKFSBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.48
TPSA
50.19

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.4
Consensus LogP
1.7
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
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)
-2.8

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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