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CAS 1609400-09-0 1,4-Dimethyl-1,4,9-triazaspiro[5.5]undecane trihydrochloride molecular structure lightbox
CAS RN: 1609400-09-0

1,4-Dimethyl-1,4,9-triazaspiro[5.5]undecane trihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 1g / 5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1609400-09-0
  • Purity/Analytical Methods: >99.0%
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1609400-09-0 / 1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane;trihydrochloride

Standard CAS: 1609400-09-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1609400-09-0
Multi CAS
No
Molecular Formula
C10H24Cl3N3
Molecular Weight
292.700000
Exact Mass
291.103581
SMILES
CN1CCN(C2(C1)CCNCC2)C.Cl.Cl.Cl
InChI
InChI=1S/C10H21N3.3ClH/c1-12-7-8-13(2)10(9-12)3-5-11-6-4-10;;;/h11H,3-9H2,1-2H3;3*1H
InChIKey
AJGODXVZXDCJSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.71
TPSA
18.51

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
1.25
Consensus LogP
1.2
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.62

Drug-likeness / Medicinal Chemistry

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

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