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CAS 76731-85-6 ethyl 3-(cyclopropylamino)propanoate molecular structure lightbox
CAS RN: 76731-85-6

ethyl 3-(cyclopropylamino)propanoate

  • Product code: SSC-186161
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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: ≥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 76731-85-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

76731-85-6 / ethyl 3-(cyclopropylamino)propanoate

Standard CAS: 76731-85-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
76731-85-6
Multi CAS
No
Molecular Formula
C8H15NO2
Molecular Weight
157.210000
Exact Mass
157.110279
InChI
InChI=1S/C8H15NO2/c1-2-11-8(10)5-6-9-7-3-4-7/h7,9H,2-6H2,1H3
InChIKey
ZRPBEAVKOMELBB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.27
TPSA
38.33

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
1.1
Consensus LogP
0.8
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.19

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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