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CAS 56447-12-2 2-cyanocyclopropane-1-carboxylic acid molecular structure lightbox
CAS RN: 56447-12-2

2-cyanocyclopropane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250629 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-164405
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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: 0.25g
  • 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 56447-12-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

56447-12-2 / 2-cyanocyclopropane-1-carboxylic acid

Standard CAS: 56447-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56447-12-2
Multi CAS
No
Molecular Formula
C5H5NO2
Molecular Weight
111.100000
Exact Mass
111.032028
InChI
InChI=1S/C5H5NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1H2,(H,7,8)
InChIKey
MFCBCXRMDAOFOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
24.85
TPSA
61.09

LogP / Solubility

WLOGP
0.23
MLOGP
0.19
XLogP3
-0.4
Consensus LogP
0.01
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.23

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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