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CAS 26209-41-6 (1S,2R,3R,8S)-4-Cyanocubane-1-carboxylic acid molecular structure lightbox
CAS RN: 26209-41-6

(1S,2R,3R,8S)-4-Cyanocubane-1-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260323 100mg Out of stock Inquiry
  • Product code: SSC-123379
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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: >97%
  • 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 26209-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Hong Kong Inquiry

26209-41-6 / 4-cyanocubane-1-carboxylic acid

Standard CAS: 26209-41-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26209-41-6
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C(#N)C12C3C4C1C5C2C3C45C(=O)O
InChI
InChI=1S/C10H7NO2/c11-1-9-2-5-3(9)7-4(9)6(2)10(5,7)8(12)13/h2-7H,(H,12,13)
InChIKey
PXXCZZGKJNAFTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.05
TPSA
61.09

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
XLogP3
-0.5
Consensus LogP
0.04
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.54

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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