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CAS 342636-36-6 ETHYL 5-(4-FLUOROPHENYL)-5-OXOVALERATE molecular structure lightbox
CAS RN: 342636-36-6

ETHYL 5-(4-FLUOROPHENYL)-5-OXOVALERATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-140555
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 342636-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

342636-36-6 / ethyl 5-(4-fluorophenyl)-5-oxopentanoate

Standard CAS: 342636-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
342636-36-6
Multi CAS
No
Molecular Formula
C13FH15O3
Molecular Weight
238.250000
Exact Mass
238.100523
InChI
InChI=1S/C13H15FO3/c1-2-17-13(16)5-3-4-12(15)10-6-8-11(14)9-7-10/h6-9H,2-5H2,1H3
InChIKey
TWLQYFQKWODQQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
61.21
TPSA
43.37

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.2
Consensus LogP
2.45
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly 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)
-2.23

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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