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CAS 1305208-01-8 tert-Butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate molecular structure lightbox
CAS RN: 1305208-01-8

tert-Butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250104 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-037129
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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 1305208-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1305208-01-8 / tert-butyl 6-oxa-3-azabicyclo[3.1.1]heptane-3-carboxylate

Standard CAS: 1305208-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1305208-01-8
Multi CAS
No
Molecular Formula
C10H17NO3
Molecular Weight
199.250000
Exact Mass
199.120843
SMILES
CC(C)(C)OC(=O)N1CC2CC(C1)O2
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-7-4-8(6-11)13-7/h7-8H,4-6H2,1-3H3
InChIKey
ASTVFZVFCKQHSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.09
TPSA
38.77

LogP / Solubility

WLOGP
1.39
MLOGP
1.23
XLogP3
1
Consensus LogP
1.21
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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