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CAS 773076-83-8 ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE molecular structure lightbox
CAS RN: 773076-83-8

ETHYL 2-CYANO-4,4-DIMETHOXYBUTANOATE

  • Product code: SSC-186793
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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: 10g
  • Available purity: ＞97%
  • 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 773076-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

773076-83-8 / ethyl 2-cyano-4,4-dimethoxybutanoate

Standard CAS: 773076-83-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
773076-83-8
Multi CAS
Yes
Molecular Formula
C9H15NO4
Molecular Weight
201.220000
Exact Mass
201.100108
InChI
InChI=1S/C9H15NO4/c1-4-14-9(11)7(6-10)5-8(12-2)13-3/h7-8H,4-5H2,1-3H3
InChIKey
QFVOXVBEBBZZLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
48.16
TPSA
68.55

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-3.45

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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