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CAS 20951-14-8 2-Fluoro-1-Methoxy-4-(Methylsulfonyl)benzene molecular structure lightbox
CAS RN: 20951-14-8

2-Fluoro-1-Methoxy-4-(Methylsulfonyl)benzene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251014 100mg / 250mg / 1g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-099262
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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, 1g, 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 20951-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

20951-14-8 / 2-fluoro-1-methoxy-4-methylsulfonylbenzene

Standard CAS: 20951-14-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20951-14-8
Multi CAS
No
Molecular Formula
C8H9FO3S
Molecular Weight
204.220000
Exact Mass
204.025643
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)C)F
InChI
InChI=1S/C8H9FO3S/c1-12-8-4-3-6(5-7(8)9)13(2,10)11/h3-5H,1-2H3
InChIKey
RJKIPWHQSXCLHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.06
TPSA
43.37

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1.2
Consensus LogP
1.18
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.09

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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