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CAS 1578-70-7 CYCLOHEXANECARBOXYLIC ACID, 1-FLUORO-2-OXO-, ETHYL ESTER molecular structure lightbox
CAS RN: 1578-70-7

CYCLOHEXANECARBOXYLIC ACID, 1-FLUORO-2-OXO-, ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260518 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-066556
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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: 1g, 0.1g, 0.25g, 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 1578-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
5g ≥95% 1 In Stock Shanghai Inquiry

1578-70-7 / ethyl 1-fluoro-2-oxocyclohexane-1-carboxylate

Standard CAS: 1578-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1578-70-7
Multi CAS
No
Molecular Formula
C9H13FO3
Molecular Weight
188.200000
Exact Mass
188.084872
SMILES
CCOC(=O)C1(CCCCC1=O)F
InChI
InChI=1S/C9H13FO3/c1-2-13-8(12)9(10)6-4-3-5-7(9)11/h2-6H2,1H3
InChIKey
WBRNDLRGLOAFCQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.95
TPSA
43.37

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.87

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
2

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