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CAS 1462-12-0 DIETHYL ETHYLIDENEMALONATE molecular structure lightbox
CAS RN: 1462-12-0

DIETHYL ETHYLIDENEMALONATE

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 100g In stock Inquiry
Batchno.20250506 1g In stock Inquiry
Batchno.20260614 25g In stock Inquiry
Batchno.20250111 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250104 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-057314
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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: 25g
  • 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 1462-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

1462-12-0 / diethyl 2-ethylidenepropanedioate

Standard CAS: 1462-12-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1462-12-0
Multi CAS
No
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
SMILES
CCOC(=O)C(=CC)C(=O)OCC
InChI
InChI=1S/C9H14O4/c1-4-7(8(10)12-5-2)9(11)13-6-3/h4H,5-6H2,1-3H3
InChIKey
LBBAWVLUOZVYCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
47.02
TPSA
52.6

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
1.9
Consensus LogP
1.3
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-3.1

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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