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CAS 75259-31-3 4-Methanesulfonyl-3-Methoxyaniline molecular structure lightbox
CAS RN: 75259-31-3

4-Methanesulfonyl-3-Methoxyaniline

  • Product code: SSC-184728
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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: 1g
  • 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 75259-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

75259-31-3 / 3-methoxy-4-methylsulfonylaniline

Standard CAS: 75259-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75259-31-3
Multi CAS
No
Molecular Formula
C8H11NO3S
Molecular Weight
201.250000
Exact Mass
201.045964
InChI
InChI=1S/C8H11NO3S/c1-12-7-5-6(9)3-4-8(7)13(2,10)11/h3-5H,9H2,1-2H3
InChIKey
LAYYXXQNPGIKED-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
4
H-bond donors
1
Molar refractivity
50.52
TPSA
69.39

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
0.1
Consensus LogP
0.46
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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