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CAS 1354940-63-8 2-[4-Fluoro-3-(Methylsulfonyl)phenyl]-1,3-dioxolane molecular structure lightbox
CAS RN: 1354940-63-8

2-[4-Fluoro-3-(Methylsulfonyl)phenyl]-1,3-dioxolane

  • Product code: SSC-043921
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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: ≥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 1354940-63-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1354940-63-8 / 2-(4-fluoro-3-methylsulfonylphenyl)-1,3-dioxolane

Standard CAS: 1354940-63-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354940-63-8
Multi CAS
No
Molecular Formula
C10H11FO4S
Molecular Weight
246.260000
Exact Mass
246.036208
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)C2OCCO2)F
InChI
InChI=1S/C10H11FO4S/c1-16(12,13)9-6-7(2-3-8(9)11)10-14-4-5-15-10/h2-3,6,10H,4-5H2,1H3
InChIKey
YYPZJLHCZDXBTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.15
TPSA
52.6

LogP / Solubility

WLOGP
1.27
MLOGP
1.13
XLogP3
0.7
Consensus LogP
1.03
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
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)
-3.32

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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