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CAS 1391054-37-7 1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione molecular structure lightbox
CAS RN: 1391054-37-7

1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-049258
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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 1391054-37-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

1391054-37-7 / 1-cyclopropyl-2-(2-fluorophenyl)ethane-1,2-dione

Standard CAS: 1391054-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1391054-37-7
Multi CAS
No
Molecular Formula
C11H9FO2
Molecular Weight
192.190000
Exact Mass
192.058658
SMILES
C1CC1C(=O)C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C11H9FO2/c12-9-4-2-1-3-8(9)11(14)10(13)7-5-6-7/h1-4,7H,5-6H2
InChIKey
FLCZRRMMACTIMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
48.46
TPSA
34.14

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
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)
-2.48

Drug-likeness / Medicinal Chemistry

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

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