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CAS 1703755-78-5 N-methyl-1,4-dioxaspiro[4,5]nonane-8-amino hydrochloride molecular structure lightbox
CAS RN: 1703755-78-5

N-methyl-1,4-dioxaspiro[4,5]nonane-8-amino hydrochloride

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260410 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1703755-78-5
  • Purity/Analytical Methods: >99.0%
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1703755-78-5 / N-methyl-1,4-dioxaspiro[4.5]decan-8-amine;hydrochloride

Standard CAS: 1703755-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1703755-78-5
Multi CAS
No
Molecular Formula
C9H18ClNO2
Molecular Weight
207.700000
Exact Mass
207.102607
SMILES
CNC1CCC2(CC1)OCCO2.Cl
InChI
InChI=1S/C9H17NO2.ClH/c1-10-8-2-4-9(5-3-8)11-6-7-12-9;/h8,10H,2-7H2,1H3;1H
InChIKey
QYAYBVSSPCUKTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.2
TPSA
30.49

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

Drug-likeness / Medicinal Chemistry

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

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