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CAS 22610-18-0 2-Phenylazetidine molecular structure lightbox
CAS RN: 22610-18-0

2-Phenylazetidine

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250415 100mg Out of stock Inquiry
Batchno.20260218 1g Out of stock Inquiry
Batchno.20260629 250mg Out of stock Inquiry
Batchno.20250314 5g Out of stock Inquiry
  • Product code: SSC-110534
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 22610-18-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

22610-18-0 / 2-phenylazetidine

Standard CAS: 22610-18-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22610-18-0
Multi CAS
No
Molecular Formula
C9H11N
Molecular Weight
133.190000
Exact Mass
133.089149
SMILES
C1CNC1C2=CC=CC=C2
InChI
InChI=1S/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
InChIKey
CLNGGMJEJSANIE-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
41.8
TPSA
12.03

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.5
Consensus LogP
1.58
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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