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CAS 16519-02-1 DIETHYL 2-FLUORO-2-METHYL-MALONATE molecular structure lightbox
CAS RN: 16519-02-1

DIETHYL 2-FLUORO-2-METHYL-MALONATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-072200
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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: 0.25g
  • Available purity: ≥95%
  • 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 16519-02-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

16519-02-1 / diethyl 2-fluoro-2-methylpropanedioate

Standard CAS: 16519-02-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16519-02-1
Multi CAS
No
Molecular Formula
C8H13FO4
Molecular Weight
192.180000
Exact Mass
192.079787
SMILES
CCOC(=O)C(C)(C(=O)OCC)F
InChI
InChI=1S/C8H13FO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3
InChIKey
QMSICYQQZWUMHX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
42.78
TPSA
52.6

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
1.5
Consensus LogP
1.03
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
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)
-3.3

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
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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