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CAS 28049-59-4 1-(2-Chlorophenyl)cyclobutanecarbonitrile molecular structure lightbox
CAS RN: 28049-59-4

1-(2-Chlorophenyl)cyclobutanecarbonitrile

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-128686
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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 28049-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

28049-59-4 / 1-(2-chlorophenyl)cyclobutane-1-carbonitrile

Standard CAS: 28049-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28049-59-4
Multi CAS
No
Molecular Formula
C11H10CLN
Molecular Weight
191.650000
Exact Mass
191.050177
InChI
InChI=1S/C11H10ClN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2
InChIKey
RNOSYTRHCBPNJB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.59
TPSA
23.79

LogP / Solubility

WLOGP
3.29
MLOGP
2.89
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly 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)
-1.56

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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