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CAS 1823862-50-5 benzyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate molecular structure lightbox
CAS RN: 1823862-50-5

benzyl 2-oxa-6-azaspiro[3.4]octane-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-083906
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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 1823862-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1823862-50-5 / benzyl 2-oxa-7-azaspiro[3.4]octane-7-carboxylate

Standard CAS: 1823862-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823862-50-5
Multi CAS
No
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
SMILES
C1CN(CC12COC2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C14H17NO3/c16-13(18-8-12-4-2-1-3-5-12)15-7-6-14(9-15)10-17-11-14/h1-5H,6-11H2
InChIKey
GBFOOYUUIJXKCF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
66.07
TPSA
38.77

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
1.5
Consensus LogP
1.79
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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