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CAS 35260-93-6 ethyl 2-cyano-3-ethoxycrotonate molecular structure lightbox
CAS RN: 35260-93-6

ethyl 2-cyano-3-ethoxycrotonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251201 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-142211
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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: 5g
  • 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 35260-93-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

35260-93-6 / ethyl 2-cyano-3-ethoxybut-2-enoate

Standard CAS: 35260-93-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35260-93-6
Multi CAS
Yes
Molecular Formula
C9H13NO3
Molecular Weight
183.200000
Exact Mass
183.089543
InChI
InChI=1S/C9H13NO3/c1-4-12-7(3)8(6-10)9(11)13-5-2/h4-5H2,1-3H3/b8-7+
InChIKey
YKXFOGAYPIPTKF-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
46.57
TPSA
59.32

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
1.4
Consensus LogP
1.33
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.86

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
1.5

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