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CAS 2063-17-4 BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER molecular structure lightbox
CAS RN: 2063-17-4

BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER

  • Product code: SSC-097249
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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: 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 2063-17-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shenzhen Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
1g -- 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2063-17-4 / ethyl 4-chloro-4,4-difluoro-3-oxobutanoate

Standard CAS: 2063-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2063-17-4
Multi CAS
No
Molecular Formula
C6H7ClF2O3
Molecular Weight
200.570000
Exact Mass
200.005178
SMILES
CCOC(=O)CC(=O)C(F)(F)Cl
InChI
InChI=1S/C6H7ClF2O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChIKey
ILOXLVPMINVBMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
37.06
TPSA
43.37

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.6
Consensus LogP
1.37
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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