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CAS 444-54-2 BUTTPARK 497-58 molecular structure lightbox
CAS RN: 444-54-2

BUTTPARK 497-58

  • Product code: SSC-152410
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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 444-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

444-54-2 / 5-fluoro-2-methoxybenzenesulfonamide

Standard CAS: 444-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
444-54-2
Multi CAS
No
Molecular Formula
C7H8FNO3S
Molecular Weight
205.210000
Exact Mass
205.020892
SMILES
COC1=C(C=C(C=C1)F)S(=O)(=O)N
InChI
InChI=1S/C7H8FNO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKey
AZYACHYSKDAONB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.33
TPSA
69.39

LogP / Solubility

WLOGP
0.48
MLOGP
0.42
XLogP3
0.6
Consensus LogP
0.5
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
Class (SILICOS-IT)
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)
-3.63

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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