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CAS 29221-25-8 bicyclo[2.2.2]octane-2-carboxylic acid molecular structure lightbox
CAS RN: 29221-25-8

bicyclo[2.2.2]octane-2-carboxylic acid

  • Product code: SSC-131714
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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: 0.05g, 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 29221-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 1 In Stock Beijing Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry

29221-25-8 / bicyclo[2.2.2]octane-2-carboxylic acid

Standard CAS: 29221-25-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29221-25-8
Multi CAS
Yes
Molecular Formula
C9H14O2
Molecular Weight
154.210000
Exact Mass
154.099380
InChI
InChI=1S/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11)
InChIKey
PNKGHXVHKCJNBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.19
TPSA
37.3

LogP / Solubility

WLOGP
1.9
MLOGP
1.66
XLogP3
2.3
Consensus LogP
1.95
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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