CAS RN: 623-49-4
Ethyl Cyanoformate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-171411
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, 100g, 500g
- Available purity: >96%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
623-49-4 / ethyl cyanoformate
Basic Information
CAS
623-49-4
Multi CAS
Yes
Molecular Formula
C4H5NO2
Molecular Weight
99.090000
Exact Mass
99.032028
InChI
InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3
InChIKey
MSMGXWFHBSCQFB-UHFFFAOYSA-N
Physical Properties
Physical Description
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
22.25
TPSA
50.09
LogP / Solubility
WLOGP
0.07
MLOGP
0.05
XLogP3
0.6
Consensus LogP
0.24
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.48
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)
-3.27
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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- Purity/Analytical method: >97.0%(GC)
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