CAS RN: 42303-42-4
Ethyl 1-Aminocyclopropanecarboxylate Hydrochloride
- Product code: SSC-150647
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
42303-42-4 / ethyl 1-aminocyclopropane-1-carboxylate;hydrochloride
Basic Information
CAS
42303-42-4
Multi CAS
Yes
Molecular Formula
C6H12CLNO2
Molecular Weight
165.620000
Exact Mass
165.055656
InChI
InChI=1S/C6H11NO2.ClH/c1-2-9-5(8)6(7)3-4-6;/h2-4,7H2,1H3;1H
InChIKey
XFNUTZWASODOQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.03
TPSA
52.32
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.46
Consensus LogP
0.44
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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