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CAS 89886-73-7 2,3-Oxiranedicarboxylicacid,monoethylester,(2S,3S)-(9CI) molecular structure lightbox
CAS RN: 89886-73-7

2,3-Oxiranedicarboxylicacid,monoethylester,(2S,3S)-(9CI)

  • Product code: SSC-202065
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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: 1g
  • 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 89886-73-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

89886-73-7 / (2S,3S)-3-ethoxycarbonyloxirane-2-carboxylic acid

Standard CAS: 89886-73-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
89886-73-7
Multi CAS
Yes
Molecular Formula
C6H8O5
Molecular Weight
160.120000
Exact Mass
160.037173
InChI
InChI=1S/C6H8O5/c1-2-10-6(9)4-3(11-4)5(7)8/h3-4H,2H2,1H3,(H,7,8)/t3-,4-/m0/s1
InChIKey
MWMZDXCRDIBPCO-IMJSIDKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
32.93
TPSA
76.13

LogP / Solubility

WLOGP
-0.6
MLOGP
-0.53
XLogP3
-0.2
Consensus LogP
-0.44
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.56
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.12

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
2.5

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