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CAS 885275-27-4 2-(PHENYLMETHYL)-2,7-DIAZASPIRO[4.4]NONANE molecular structure lightbox
CAS RN: 885275-27-4

2-(PHENYLMETHYL)-2,7-DIAZASPIRO[4.4]NONANE

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250831 100mg Out of stock Inquiry
Batchno.20251124 1g Out of stock Inquiry
Batchno.20250924 250mg Out of stock Inquiry
  • Product code: starshine_CAS885275-27-4
  • Purity/Analytical Methods: >99.0%
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885275-27-4 / (5R)-2-benzyl-2,7-diazaspiro[4.4]nonane

Standard CAS: 885275-27-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885275-27-4
Multi CAS
Yes
Molecular Formula
C14H20N2
Molecular Weight
216.320000
Exact Mass
216.162649
InChI
InChI=1S/C14H20N2/c1-2-4-13(5-3-1)10-16-9-7-14(12-16)6-8-15-11-14/h1-5,15H,6-12H2
InChIKey
ZLFPWTIKFBLPGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.26
TPSA
15.27

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.71

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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