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CAS 3999-56-2 trans-ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate molecular structure lightbox
CAS RN: 3999-56-2

trans-ethyl (1R,2R)-2-cyanocyclopropane-1-carboxylate

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250105 100mg Out of stock Inquiry
Batchno.20260226 1g Out of stock Inquiry
Batchno.20251026 250mg Out of stock Inquiry
  • Product code: SSC-147830
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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: ＞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 3999-56-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

3999-56-2 / ethyl 2-cyanocyclopropane-1-carboxylate

Standard CAS: 3999-56-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3999-56-2
Multi CAS
Yes
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c1-2-10-7(9)6-3-5(6)4-8/h5-6H,2-3H2,1H3
InChIKey
ABSAAQSCUQHJOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
33.84
TPSA
50.09

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.3
Consensus LogP
0.54
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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