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CAS 693249-62-6 8-Oxabicyclo[3.2.1]octan-3-amine,(3-endo)-(9CI) molecular structure lightbox
CAS RN: 693249-62-6

8-Oxabicyclo[3.2.1]octan-3-amine,(3-endo)-(9CI)

  • Product code: SSC-178968
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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
  • 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 693249-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

693249-62-6 / 8-oxabicyclo[3.2.1]octan-3-amine

Standard CAS: 693249-62-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
693249-62-6
Multi CAS
Yes
Molecular Formula
C7H13NO
Molecular Weight
127.180000
Exact Mass
127.099714
InChI
InChI=1S/C7H13NO/c8-5-3-6-1-2-7(4-5)9-6/h5-7H,1-4,8H2
InChIKey
LTDXJGJQKVIVHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.1
TPSA
35.25

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.3
Consensus LogP
0.51
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.03
Class (SILICOS-IT)
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)
-3.03

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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