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CAS 22649-37-2 1-AMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER HCL molecular structure lightbox
CAS RN: 22649-37-2

1-AMINO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER HCL

  • Product code: SSC-110582
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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: 1g
  • 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 22649-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

22649-37-2 / ethyl 1-aminocyclopentane-1-carboxylate;hydrochloride

Standard CAS: 22649-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22649-37-2
Multi CAS
No
Molecular Formula
C8H16ClNO2
Molecular Weight
193.670000
Exact Mass
193.086956
SMILES
CCOC(=O)C1(CCCC1)N.Cl
InChI
InChI=1S/C8H15NO2.ClH/c1-2-11-7(10)8(9)5-3-4-6-8;/h2-6,9H2,1H3;1H
InChIKey
ADFASIQRQWKXSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.27
TPSA
52.32

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.24
Consensus LogP
1.19
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.02

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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