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CAS 279-40-3 7-azabicyclo[2.2.1]heptane molecular structure lightbox
CAS RN: 279-40-3

7-azabicyclo[2.2.1]heptane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS279-40-3
  • Purity/Analytical Methods: >99.0%
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279-40-3 / 7-azabicyclo[2.2.1]heptane

Standard CAS: 279-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
279-40-3
Multi CAS
No
Molecular Formula
C6H11N
Molecular Weight
97.160000
Exact Mass
97.089149
InChI
InChI=1S/C6H11N/c1-2-6-4-3-5(1)7-6/h5-7H,1-4H2
InChIKey
SNZSSCZJMVIOCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.18
TPSA
12.03

LogP / Solubility

WLOGP
0.9
MLOGP
0.78
XLogP3
0.9
Consensus LogP
0.86
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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