[email protected]
CAS 151096-97-8 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane molecular structure lightbox
CAS RN: 151096-97-8

4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250425 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS151096-97-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

151096-97-8 / 4-benzyl-1-oxa-4,9-diazaspiro[5.5]undecane

Standard CAS: 151096-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151096-97-8
Multi CAS
No
Molecular Formula
C15H22N2O
Molecular Weight
246.350000
Exact Mass
246.173213
SMILES
C1CNCCC12CN(CCO2)CC3=CC=CC=C3
InChI
InChI=1S/C15H22N2O/c1-2-4-14(5-3-1)12-17-10-11-18-15(13-17)6-8-16-9-7-15/h1-5,16H,6-13H2
InChIKey
AWHHKKHMEIVLFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
72.51
TPSA
24.5

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us