[email protected]
CAS 1823866-47-2 7-benzyl-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one molecular structure lightbox
CAS RN: 1823866-47-2

7-benzyl-3,3-dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINB927215
GET A QUOTE

1823866-47-2 / 9-benzyl-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one

Standard CAS: 1823866-47-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823866-47-2
Multi CAS
No
Molecular Formula
C17H23NO2
Molecular Weight
273.370000
Exact Mass
273.172879
SMILES
CC1(CC2(CCCN(C2)CC3=CC=CC=C3)C(=O)O1)C
InChI
InChI=1S/C17H23NO2/c1-16(2)12-17(15(19)20-16)9-6-10-18(13-17)11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
InChIKey
YGSKJVIZAROCQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.17
TPSA
29.54

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.7
Consensus LogP
2.78
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us