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CAS 1363380-60-2 Diethyl 9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate hydrochloride molecular structure lightbox
CAS RN: 1363380-60-2

Diethyl 9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1363380-60-2
  • Purity/Analytical Methods: >99.0%
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1363380-60-2 / diethyl 9-azabicyclo[3.3.1]nonane-3,7-dicarboxylate

Standard CAS: 1363380-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-60-2
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CCOC(=O)C1CC2CC(CC(C1)N2)C(=O)OCC
InChI
InChI=1S/C14H23NO4/c1-3-18-13(16)9-5-11-7-10(14(17)19-4-2)8-12(6-9)15-11/h9-12,15H,3-8H2,1-2H3
InChIKey
CYOAMOAKXMVYBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
69.43
TPSA
64.63

LogP / Solubility

WLOGP
1.26
MLOGP
1.12
XLogP3
1.4
Consensus LogP
1.26
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.47

Drug-likeness / Medicinal Chemistry

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

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