[email protected]
CAS 54745-75-4 3-benzyl-8-oxa-3-aza-bicyclo[3.2.1]octane molecular structure lightbox
CAS RN: 54745-75-4

3-benzyl-8-oxa-3-aza-bicyclo[3.2.1]octane

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS54745-75-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

54745-75-4 / 3-benzyl-8-oxa-3-azabicyclo[3.2.1]octane

Standard CAS: 54745-75-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54745-75-4
Multi CAS
Yes
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
InChI
InChI=1S/C13H17NO/c1-2-4-11(5-3-1)8-14-9-12-6-7-13(10-14)15-12/h1-5,12-13H,6-10H2
InChIKey
FWPBWDMKQQRHHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.61
TPSA
12.47

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Customers Also Viewed

Get In Touch

Contact Us