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CAS 1159822-78-2 8-BENZYL-1,8-DIAZA-SPIRO[4.5]DECANE 2HCL molecular structure lightbox
CAS RN: 1159822-78-2

8-BENZYL-1,8-DIAZA-SPIRO[4.5]DECANE 2HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250818 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1159822-78-2
  • Purity/Analytical Methods: >99.0%
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1159822-78-2 / 8-benzyl-1,8-diazaspiro[4.5]decane;dihydrochloride

8-Benzyl-1,8-diazaspiro[4.5]decane dihydrochloride | 8-Benzyl-1,8-diaza-spiro[4.5]decane 2HCl | MFCD11501176

Standard CAS: 1159822-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159822-78-2
Multi CAS
No
Molecular Formula
C15H24Cl2N2
Molecular Weight
303.300000
Exact Mass
302.131654
SMILES
C1CC2(CCN(CC2)CC3=CC=CC=C3)NC1.Cl.Cl
InChI
InChI=1S/C15H22N2.2ClH/c1-2-5-14(6-3-1)13-17-11-8-15(9-12-17)7-4-10-16-15;;/h1-3,5-6,16H,4,7-13H2;2*1H
InChIKey
GNSMSVLFLPSDEP-UHFFFAOYSA-N
Synonyms
8-Benzyl-1,8-diazaspiro[4.5]decane dihydrochloride 8-Benzyl-1,8-diaza-spiro[4.5]decane 2HCl MFCD11501176 8-benzyl-1,8-diazaspiro[4.5]decane;dihydrochloride 8-Benzyl-1,8-diaza-spiro[4.5]decane dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.42
TPSA
15.27

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
3.25
Consensus LogP
3.12
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.26

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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