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CAS 2534-70-5 2534-70-5 molecular structure lightbox
CAS RN: 2534-70-5

2534-70-5

  • Product code: SSC-121225
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 2534-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

2534-70-5 / 2-oxobicyclo[2.2.1]heptane-1-carboxylic acid

Standard CAS: 2534-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2534-70-5
Multi CAS
No
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
SMILES
C1CC2(CC1CC2=O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h5H,1-4H2,(H,10,11)
InChIKey
ZKMOOBXRINLMKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.03
TPSA
54.37

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
1.1
Consensus LogP
0.89
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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