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CAS 24539-26-2 Methyl (1S,2R,3R,8S)-4-cyanocubane-1-carboxylate molecular structure lightbox
CAS RN: 24539-26-2

Methyl (1S,2R,3R,8S)-4-cyanocubane-1-carboxylate

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250613 100mg Out of stock Inquiry
Batchno.20250730 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-119223
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 24539-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

24539-26-2 / methyl 4-cyanocubane-1-carboxylate

Standard CAS: 24539-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24539-26-2
Multi CAS
No
Molecular Formula
C11H9NO2
Molecular Weight
187.190000
Exact Mass
187.063329
SMILES
COC(=O)C12C3C4C1C5C2C3C45C#N
InChI
InChI=1S/C11H9NO2/c1-14-9(13)11-6-3-7(11)5-8(11)4(6)10(3,5)2-12/h3-8H,1H3
InChIKey
YJWWJLDCZLPNDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.44
TPSA
50.09

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
-0.1
Consensus LogP
0.23
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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