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CAS 4883-70-9 4-oxoCyclohexanepropanoic acid molecular structure lightbox
CAS RN: 4883-70-9

4-oxoCyclohexanepropanoic acid

  • Product code: SSC-155416
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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: 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 4883-70-9
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% 0 Out of Stock Beijing Inquiry

4883-70-9 / 3-(4-oxocyclohexyl)propanoic acid

Standard CAS: 4883-70-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4883-70-9
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
InChI
InChI=1S/C9H14O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h7H,1-6H2,(H,11,12)
InChIKey
QKUBCBWCNZAGJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.83
TPSA
54.37

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
0.5
Consensus LogP
1.17
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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