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CAS 685-87-0 Diethyl Bromomalonate molecular structure lightbox
CAS RN: 685-87-0

Diethyl Bromomalonate

  • Product code: SSC-178218
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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: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥92%
  • Inventory rows with stock: 6
  • 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 685-87-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥92% 5 In Stock Shanghai Inquiry
10g ≥92% 5 In Stock Beijing Inquiry
25g ≥92% 5 In Stock Beijing Inquiry
100g ≥92% 5 In Stock Beijing Inquiry
500g ≥92% 1 In Stock Hong Kong Inquiry
1000g ≥92% 1 In Stock Shenzhen Inquiry

685-87-0 / diethyl 2-bromopropanedioate

Standard CAS: 685-87-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
685-87-0
Multi CAS
Yes
Molecular Formula
C7H11BRO4
Molecular Weight
239.060000
Exact Mass
237.984070
InChI
InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey
FNJVDWXUKLTFFL-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear light brown liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
45.98
TPSA
52.6

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
1.8
Consensus LogP
1.15
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
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)
-3.56

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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