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CAS 126822-37-5 1-(2-AMINOETHYL)CYCLOPROPANECARBOXYLIC ACID molecular structure lightbox
CAS RN: 126822-37-5

1-(2-AMINOETHYL)CYCLOPROPANECARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250618 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-034038
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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: 0.25g
  • 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 126822-37-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

126822-37-5 / 1-(2-aminoethyl)cyclopropane-1-carboxylic acid

Standard CAS: 126822-37-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126822-37-5
Multi CAS
No
Molecular Formula
C6H11NO2
Molecular Weight
129.160000
Exact Mass
129.078979
SMILES
C1CC1(CCN)C(=O)O
InChI
InChI=1S/C6H11NO2/c7-4-3-6(1-2-6)5(8)9/h1-4,7H2,(H,8,9)
InChIKey
BFKGCGPIFIWAKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.97
TPSA
63.32

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
-2.8
Consensus LogP
-0.81
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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)
-3.37

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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