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CAS 21473-16-5 1-Azabicyclo[2.2.1]heptan-3-ol molecular structure lightbox
CAS RN: 21473-16-5

1-Azabicyclo[2.2.1]heptan-3-ol

  • Product code: SSC-102935
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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 21473-16-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

21473-16-5 / (3S,4R)-1-azabicyclo[2.2.1]heptan-3-ol

Standard CAS: 21473-16-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21473-16-5
Multi CAS
No
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
SMILES
C1CN2C[C@@H]1[C@@H](C2)O
InChI
InChI=1S/C6H11NO/c8-6-4-7-2-1-5(6)3-7/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKey
RYUPTWCEWSUXQZ-PHDIDXHHSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.55
TPSA
23.47

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.13
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)
-3.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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