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CAS 15667-63-7 1-Cyano-2-propenyl Acetate molecular structure lightbox
CAS RN: 15667-63-7

1-Cyano-2-propenyl Acetate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251207 1g In stock Shandong Inquiry
Batchno.20250325 250mg In stock Shanghai Inquiry
  • Product code: SSC-065766
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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 15667-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

15667-63-7 / 1-cyanoprop-2-enyl acetate

Standard CAS: 15667-63-7 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
15667-63-7
Multi CAS
No
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
SMILES
CC(=O)OC(C=C)C#N
InChI
InChI=1S/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3
InChIKey
MEHLEOUIWVWVBF-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
31.36
TPSA
50.09

LogP / Solubility

WLOGP
0.63
MLOGP
0.54
XLogP3
0.7
Consensus LogP
0.62
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-3.04

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
2

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H300+H310 (73.1%): Fatal if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] H300 (73.1%): Fatal if swallowed [Danger Acute toxicity, oral] H310 (73.1%): Fatal in contact with skin [Danger Acute toxicity, dermal] H311 (26.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H318 (73.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P391, P403+P233, P405, and P501

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