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CAS 1380300-34-4 2-Ethyl-2,8-diazaspiro[4.5]decan-3-one hydrochloride molecular structure lightbox
CAS RN: 1380300-34-4

2-Ethyl-2,8-diazaspiro[4.5]decan-3-one hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250723 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1380300-34-4
  • Purity/Analytical Methods: >99.0%
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1380300-34-4 / 2-ethyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride

Standard CAS: 1380300-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1380300-34-4
Multi CAS
No
Molecular Formula
C10H19ClN2O
Molecular Weight
218.720000
Exact Mass
218.118591
SMILES
CCN1CC2(CCNCC2)CC1=O.Cl
InChI
InChI=1S/C10H18N2O.ClH/c1-2-12-8-10(7-9(12)13)3-5-11-6-4-10;/h11H,2-8H2,1H3;1H
InChIKey
RLLJBTQRDLAPEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.66
TPSA
32.34

LogP / Solubility

WLOGP
1.03
MLOGP
0.91
XLogP3
1.03
Consensus LogP
0.99
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.32

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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