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CAS 1391732-45-8 8-tert-butyl 2-Methyl 8-azaspiro[4.5]decane-2,8-dicarboxylate molecular structure lightbox
CAS RN: 1391732-45-8

8-tert-butyl 2-Methyl 8-azaspiro[4.5]decane-2,8-dicarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250305 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-049557
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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: 0.1g, 0.25g, 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 1391732-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1391732-45-8 / 8-O-tert-butyl 3-O-methyl 8-azaspiro[4.5]decane-3,8-dicarboxylate

Standard CAS: 1391732-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391732-45-8
Multi CAS
No
Molecular Formula
C16H27NO4
Molecular Weight
297.390000
Exact Mass
297.194008
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(C2)C(=O)OC)CC1
InChI
InChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-9-7-16(8-10-17)6-5-12(11-16)13(18)20-4/h12H,5-11H2,1-4H3
InChIKey
MTIWDIYQTBHBSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
78.83
TPSA
55.84

LogP / Solubility

WLOGP
2.98
MLOGP
2.63
XLogP3
2.6
Consensus LogP
2.74
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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