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CAS 4753-59-7 4-Bromobutyl Acetate molecular structure lightbox
CAS RN: 4753-59-7

4-Bromobutyl Acetate

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251121 100g In stock Inquiry
Batchno.20260310 10g In stock Inquiry
Batchno.20250307 250g In stock Inquiry
Batchno.20260205 25g In stock Inquiry
Batchno.20260430 50g In stock Inquiry
Batchno.20250718 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250712 100g In stock Shanghai Inquiry
Batchno.20250823 1kg Out of stock Inquiry
Batchno.20250401 25g In stock Shanghai Inquiry
Batchno.20260518 500g In stock Shanghai Inquiry
Batchno.20251103 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-154514
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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: ≥97%
  • 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 4753-59-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Hong Kong Inquiry

4753-59-7 / 4-bromobutyl acetate

Standard CAS: 4753-59-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4753-59-7
Multi CAS
Yes
Molecular Formula
C6H11BRO2
Molecular Weight
195.050000
Exact Mass
193.994240
InChI
InChI=1S/C6H11BrO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChIKey
UOABIRUEGSGTSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
39.66
TPSA
26.3

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
2
Consensus LogP
1.75
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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)
-2.69

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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