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CAS 2055841-30-8 2-{5-azaspiro[2.4]heptan-7-yl}acetic acid molecular structure lightbox
CAS RN: 2055841-30-8

2-{5-azaspiro[2.4]heptan-7-yl}acetic acid

  • Product code: SSC-096807
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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 2055841-30-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

2055841-30-8 / 2-(5-azaspiro[2.4]heptan-7-yl)acetic acid

Standard CAS: 2055841-30-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2055841-30-8
Multi CAS
No
Molecular Formula
C8H13NO2
Molecular Weight
155.190000
Exact Mass
155.094629
SMILES
C1CC12CNCC2CC(=O)O
InChI
InChI=1S/C8H13NO2/c10-7(11)3-6-4-9-5-8(6)1-2-8/h6,9H,1-5H2,(H,10,11)
InChIKey
LBDBIYGVDROOGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.28
TPSA
49.33

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-2.4
Consensus LogP
-0.51
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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