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CAS 4363-13-7 3-phenylazetidine molecular structure lightbox
CAS RN: 4363-13-7

3-phenylazetidine

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250628 1g Out of stock Inquiry
Batchno.20260225 250mg Out of stock Inquiry
  • Product code: starshine_CAS4363-13-7
  • Purity/Analytical Methods: >99.0%
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4363-13-7 / 3-phenylazetidine

Standard CAS: 4363-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4363-13-7
Multi CAS
No
Molecular Formula
C9H11N
Molecular Weight
133.190000
Exact Mass
133.089149
InChI
InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9-10H,6-7H2
InChIKey
XOZGEXKQMVAILQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.05
TPSA
12.03

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
1.3
Consensus LogP
1.29
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.64
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)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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