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CAS 1251022-90-8 Ethyl 5-Boc-5-Aza-spiro[3.4]octane-2-carboxylate molecular structure lightbox
CAS RN: 1251022-90-8

Ethyl 5-Boc-5-Aza-spiro[3.4]octane-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250705 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1251022-90-8
  • Purity/Analytical Methods: >99.0%
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1251022-90-8 / 5-O-tert-butyl 2-O-ethyl 5-azaspiro[3.4]octane-2,5-dicarboxylate

Standard CAS: 1251022-90-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251022-90-8
Multi CAS
No
Molecular Formula
C15H25NO4
Molecular Weight
283.360000
Exact Mass
283.178358
SMILES
CCOC(=O)C1CC2(C1)CCCN2C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO4/c1-5-19-12(17)11-9-15(10-11)7-6-8-16(15)13(18)20-14(2,3)4/h11H,5-10H2,1-4H3
InChIKey
ZPPOQRXOWKVNJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.26
TPSA
55.84

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.2
Consensus LogP
2.45
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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