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CAS 52960-57-3 Benzenesulfonamide, 2-methoxy- (9CI) molecular structure lightbox
CAS RN: 52960-57-3

Benzenesulfonamide, 2-methoxy- (9CI)

  • Product code: SSC-160129
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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 52960-57-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

52960-57-3 / 2-methoxybenzenesulfonamide

Standard CAS: 52960-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52960-57-3
Multi CAS
No
Molecular Formula
C7H9NO3S
Molecular Weight
187.220000
Exact Mass
187.030314
InChI
InChI=1S/C7H9NO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey
MKQNYQGIPARLKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.37
TPSA
69.39

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.1
Consensus LogP
0.25
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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