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CAS 1086395-20-1 1,7-Diazaspiro[4.5]decane, 7-(phenylMethyl)- molecular structure lightbox
CAS RN: 1086395-20-1

1,7-Diazaspiro[4.5]decane, 7-(phenylMethyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260113 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1086395-20-1
  • Purity/Analytical Methods: >99.0%
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1086395-20-1 / 9-benzyl-1,9-diazaspiro[4.5]decane

7-Benzyl-1,7-diazaspiro[4.5]decane | 1,7-Diazaspiro[4.5]decane, 7-(phenylmethyl)- | 9-benzyl-1,9-diazaspiro[4.5]decane

Standard CAS: 1086395-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1086395-20-1
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
C1CC2(CCCN(C2)CC3=CC=CC=C3)NC1
InChI
InChI=1S/C15H22N2/c1-2-6-14(7-3-1)12-17-11-5-9-15(13-17)8-4-10-16-15/h1-3,6-7,16H,4-5,8-13H2
InChIKey
OOKMXRYWLZPJSM-UHFFFAOYSA-N
Synonyms
7-Benzyl-1,7-diazaspiro[4.5]decane 1,7-Diazaspiro[4.5]decane, 7-(phenylmethyl)- 9-benzyl-1,9-diazaspiro[4.5]decane SCHEMBL10205914 DTXSID30737933

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.92
TPSA
15.27

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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