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CAS 21472-89-9 1-Aza-bicyclo[2.2.1]heptan-3-one molecular structure lightbox
CAS RN: 21472-89-9

1-Aza-bicyclo[2.2.1]heptan-3-one

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260508 100mg In stock Shanghai Inquiry
Batchno.20250406 1g In stock Shanghai Inquiry
Batchno.20250614 250mg In stock Shanghai Inquiry
  • Product code: SSC-102934
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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: >95%
  • Inventory rows with stock: 4
  • 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 21472-89-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry

21472-89-9 / 1-azabicyclo[2.2.1]heptan-3-one

Standard CAS: 21472-89-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21472-89-9
Multi CAS
No
Molecular Formula
C6H9NO
Molecular Weight
111.140000
Exact Mass
111.068414
SMILES
C1CN2CC1C(=O)C2
InChI
InChI=1S/C6H9NO/c8-6-4-7-2-1-5(6)3-7/h5H,1-4H2
InChIKey
VZPRMKOCTSUHCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
29.55
TPSA
20.31

LogP / Solubility

WLOGP
-0.11
MLOGP
-0.11
Consensus LogP
-0.07
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.29
Class (SILICOS-IT)
Very 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)
-3.48

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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