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CAS 359779-74-1 tert-butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate molecular structure lightbox
CAS RN: 359779-74-1

tert-butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-143051
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 359779-74-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

359779-74-1 / tert-butyl 3-oxo-6-azabicyclo[3.2.1]octane-6-carboxylate

Standard CAS: 359779-74-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
359779-74-1
Multi CAS
No
Molecular Formula
C12H19NO3
Molecular Weight
225.280000
Exact Mass
225.136493
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-4-9(13)6-10(14)5-8/h8-9H,4-7H2,1-3H3
InChIKey
ACKCXFPGKUJMPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
59.08
TPSA
46.61

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1
Consensus LogP
1.57
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.69

Drug-likeness / Medicinal Chemistry

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

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