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CAS 2165563-31-3 tert-butyl (S)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate molecular structure lightbox
CAS RN: 2165563-31-3

tert-butyl (S)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250317 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-103780
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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: 0.25g
  • 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 2165563-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2165563-31-3 / tert-butyl (7S)-7-hydroxy-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Standard CAS: 2165563-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2165563-31-3
Multi CAS
No
Molecular Formula
C11H19NO4
Molecular Weight
229.270000
Exact Mass
229.131408
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CO2)O
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-6-11(7-12)4-8(13)5-15-11/h8,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
PWCXTAYTSYDZTN-QMMMGPOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.11
TPSA
59

LogP / Solubility

WLOGP
0.76
MLOGP
0.67
XLogP3
0.1
Consensus LogP
0.51
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.58

Drug-likeness / Medicinal Chemistry

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

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