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CAS 94268-29-8 4-(azetidin-3-yl)benzonitrile hcl molecular structure lightbox
CAS RN: 94268-29-8

4-(azetidin-3-yl)benzonitrile hcl

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 100mg In stock Shanghai Inquiry
Batchno.20251111 1g In stock Shanghai Inquiry
Batchno.20250831 250mg In stock Shanghai Inquiry
  • Product code: SSC-208938
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >96%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 94268-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >96% 1 In Stock Beijing Inquiry
0.25g >96% 1 In Stock Shanghai Inquiry
1g >96% 1 In Stock Hong Kong Inquiry
5g >96% 0 Out of Stock Beijing Inquiry

94268-29-8 / 4-(azetidin-3-yl)benzonitrile;hydrochloride

Standard CAS: 94268-29-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
94268-29-8
Multi CAS
No
Molecular Formula
C10H11CLN2
Molecular Weight
194.660000
Exact Mass
194.061076
InChI
InChI=1S/C10H10N2.ClH/c11-5-8-1-3-9(4-2-8)10-6-12-7-10;/h1-4,10,12H,6-7H2;1H
InChIKey
OUCUIYOUNRIDRM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.02
TPSA
35.82

LogP / Solubility

WLOGP
1.67
MLOGP
1.47
XLogP3
1.67
Consensus LogP
1.6
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.72

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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