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CAS 39560-31-1 Methyl-4-(4-Fluorophenyl)-4-oxobutanoate molecular structure lightbox
CAS RN: 39560-31-1

Methyl-4-(4-Fluorophenyl)-4-oxobutanoate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251203 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-147235
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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, 5g, 25g, 0.25g, 10g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 39560-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
100g >97% 1 In Stock Shanghai Inquiry

39560-31-1 / methyl 4-(4-fluorophenyl)-4-oxobutanoate

Standard CAS: 39560-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39560-31-1
Multi CAS
No
Molecular Formula
C11FH11O3
Molecular Weight
210.200000
Exact Mass
210.069222
InChI
InChI=1S/C11H11FO3/c1-15-11(14)7-6-10(13)8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKey
WVLOAJPINXKMAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
51.98
TPSA
43.37

LogP / Solubility

WLOGP
1.96
MLOGP
1.73
XLogP3
1.8
Consensus LogP
1.83
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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