CAS RN: 947534-06-7

5,9-Dioxa-2-aza-spiro[3.5]nonane, hydrochloride

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Batchno.20250907 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS947534-06-7
  • Purity/Analytical Methods: >99.0%
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947534-06-7 / 5,9-dioxa-2-azaspiro[3.5]nonane;hydrochloride

Standard CAS: 947534-06-7 Multi CAS: No

Basic Information

CAS
947534-06-7
Multi CAS
No
Molecular Formula
C6H12CLNO2
Molecular Weight
165.620000
Exact Mass
165.055656
InChI
InChI=1S/C6H11NO2.ClH/c1-2-8-6(9-3-1)4-7-5-6;/h7H,1-5H2;1H
InChIKey
GBBUGMVMTUHZFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.37
TPSA
30.49

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
0.14
Consensus LogP
0.13
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.86
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)
-3.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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