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CAS 80082-81-1 benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate molecular structure lightbox
CAS RN: 80082-81-1

benzyl N-[(3S)-2-oxoazetidin-3-yl]carbamate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260428 25mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS80082-81-1
  • Purity/Analytical Methods: >99.0%
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80082-81-1 / benzyl N-(2-oxoazetidin-3-yl)carbamate

Standard CAS: 80082-81-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80082-81-1
Multi CAS
Yes
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
InChI
InChI=1S/C11H12N2O3/c14-10-9(6-12-10)13-11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)(H,13,15)/t9-/m0/s1
InChIKey
NQXRQYKIEKLAHI-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.56
TPSA
67.43

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.6
Consensus LogP
0.46
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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