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CAS 16205-98-4 3-OXO-1-CYCLOHEXANECARBOXYLIC ACID 96 molecular structure lightbox
CAS RN: 16205-98-4

3-OXO-1-CYCLOHEXANECARBOXYLIC ACID 96

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-069572
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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: 0.25g, 1g, 0.1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • 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 16205-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 4 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

16205-98-4 / 3-oxocyclohexane-1-carboxylic acid

Standard CAS: 16205-98-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16205-98-4
Multi CAS
No
Molecular Formula
C7H10O3
Molecular Weight
142.150000
Exact Mass
142.062994
SMILES
C1CC(CC(=O)C1)C(=O)O
InChI
InChI=1S/C7H10O3/c8-6-3-1-2-5(4-6)7(9)10/h5H,1-4H2,(H,9,10)
InChIKey
WATQNARHYZXAGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
54.37

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
-0.1
Consensus LogP
0.48
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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