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CAS 400840-94-0 1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 400840-94-0

1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLIC ACID ETHYL ESTER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260305 100mg In stock Inquiry
Batchno.20250305 1g In stock Inquiry
Batchno.20250706 250mg In stock Inquiry
Batchno.20251012 5g In stock Inquiry
  • Product code: SSC-148028
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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, 10g, 0.25g, 5g, 25g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 400840-94-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
5g >95% 3 In Stock Shanghai Inquiry
25g >95% 3 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry

400840-94-0 / ethyl 1-(aminomethyl)cyclopropane-1-carboxylate

Standard CAS: 400840-94-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
400840-94-0
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
InChI
InChI=1S/C7H13NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-5,8H2,1H3
InChIKey
AYTOKAZVIPSHHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.35
TPSA
52.32

LogP / Solubility

WLOGP
0.29
MLOGP
0.25
XLogP3
-0.2
Consensus LogP
0.11
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
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)
-3.39

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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