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CAS 1375000-41-1 4-amino-Bicyclo[2.2.1]heptane-1-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1375000-41-1

4-amino-Bicyclo[2.2.1]heptane-1-carboxylic acid ethyl ester

  • Product code: SSC-047136
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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 1375000-41-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1375000-41-1 / ethyl 4-aminobicyclo[2.2.1]heptane-1-carboxylate

Standard CAS: 1375000-41-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1375000-41-1
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
SMILES
CCOC(=O)C12CCC(C1)(CC2)N
InChI
InChI=1S/C10H17NO2/c1-2-13-8(12)9-3-5-10(11,7-9)6-4-9/h2-7,11H2,1H3
InChIKey
FEGZEXYWYWRXTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.07
TPSA
52.32

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
0.6
Consensus LogP
0.96
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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