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CAS 280-06-8 3,8-Diaza-bicyclo[3.2.1]octane molecular structure lightbox
CAS RN: 280-06-8

3,8-Diaza-bicyclo[3.2.1]octane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS280-06-8
  • Purity/Analytical Methods: >99.0%
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280-06-8 / 3,8-diazabicyclo[3.2.1]octane

Standard CAS: 280-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
280-06-8
Multi CAS
No
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
SMILES
C1CC2CNCC1N2
InChI
InChI=1S/C6H12N2/c1-2-6-4-7-3-5(1)8-6/h5-8H,1-4H2
InChIKey
LKDJYZBKCVSODK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.82
TPSA
24.06

LogP / Solubility

WLOGP
-0.29
MLOGP
-0.27
XLogP3
-0.2
Consensus LogP
-0.25
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
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)
-3.61

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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