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CAS 80-58-0 2-Bromobutyric Acid molecular structure lightbox
CAS RN: 80-58-0

2-Bromobutyric Acid

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250911 100g In stock Inquiry
Batchno.20250214 250g In stock Inquiry
Batchno.20250409 25g In stock Inquiry
Batchno.20260212 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250106 100g In stock Shanghai, Shandong Inquiry
Batchno.20250615 2.5kg In stock Shanghai Inquiry
Batchno.20260318 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251023 500g In stock Shanghai Inquiry
Batchno.20250414 500g In stock Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-189004
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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, 100g
  • Available purity: ≥98%
  • 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 80-58-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

80-58-0 / 2-bromobutanoic acid

Standard CAS: 80-58-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80-58-0
Multi CAS
Yes
Molecular Formula
C4H7BRO2
Molecular Weight
167.000000
Exact Mass
165.962940
InChI
InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey
YAQLSKVCTLCIIE-UHFFFAOYSA-N

Physical Properties

Physical Description
Oily liquid; [Merck Index]
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.64
TPSA
37.3

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.4
Consensus LogP
1.24
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.86

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
2

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