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CAS 132640-86-9 ethyl (E)-5-bromo-2-pentanoate molecular structure lightbox
CAS RN: 132640-86-9

ethyl (E)-5-bromo-2-pentanoate

  • Product code: SSC-039440
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 132640-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

132640-86-9 / ethyl (E)-5-bromopent-2-enoate

Standard CAS: 132640-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132640-86-9
Multi CAS
No
Molecular Formula
C7H11BrO2
Molecular Weight
207.060000
Exact Mass
205.994240
SMILES
CCOC(=O)/C=C/CCBr
InChI
InChI=1S/C7H11BrO2/c1-2-10-7(9)5-3-4-6-8/h3,5H,2,4,6H2,1H3/b5-3+
InChIKey
YYJABUZCTGSYNY-HWKANZROSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.18
TPSA
26.3

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
2
Consensus LogP
1.85
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
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)
-2.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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