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CAS 943828-20-4 methyl3-bromo-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate molecular structure lightbox
CAS RN: 943828-20-4

methyl3-bromo-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate

  • Product code: SSC-209127
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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 943828-20-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry

943828-20-4 / methyl 3-bromo-7-oxabicyclo[2.2.1]hept-2-ene-2-carboxylate

Standard CAS: 943828-20-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943828-20-4
Multi CAS
No
Molecular Formula
C8H9BRO3
Molecular Weight
233.060000
Exact Mass
231.973510
InChI
InChI=1S/C8H9BrO3/c1-11-8(10)6-4-2-3-5(12-4)7(6)9/h4-5H,2-3H2,1H3
InChIKey
YNUUIFHTUFUCMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
45.86
TPSA
35.53

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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