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CAS 54202-05-0 Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate molecular structure lightbox
CAS RN: 54202-05-0

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 100mg In stock Shanghai Inquiry
Batchno.20250803 1g In stock Shanghai Inquiry
Batchno.20251130 250mg In stock Shanghai Inquiry
  • Product code: SSC-161819
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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, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 54202-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry
10g >98% 1 In Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

54202-05-0 / methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate

Standard CAS: 54202-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
54202-05-0
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
InChI
InChI=1S/C11H15NO2/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h2-7H2,1H3
InChIKey
UTSHTDGCQQHAPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.2
TPSA
50.09

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.1
Consensus LogP
1.63
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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