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CAS 615-83-8 Ethyl 2-Bromovalerate molecular structure lightbox
CAS RN: 615-83-8

Ethyl 2-Bromovalerate

  • Product code: SSC-170433
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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: 100g
  • 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 615-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

615-83-8 / ethyl 2-bromopentanoate

Standard CAS: 615-83-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
615-83-8
Multi CAS
Yes
Molecular Formula
C7H13BRO2
Molecular Weight
209.080000
Exact Mass
208.009890
InChI
InChI=1S/C7H13BrO2/c1-3-5-6(8)7(9)10-4-2/h6H,3-5H2,1-2H3
InChIKey
ORSIRXYHFPHWTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.26
TPSA
26.3

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2.6
Consensus LogP
2.19
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
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)
-2.5

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
2

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