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CAS 51765-76-5 2′-(4-Methoxyphenoxy)-4′-nitroMethanesulfonanilide molecular structure lightbox
CAS RN: 51765-76-5

2′-(4-Methoxyphenoxy)-4′-nitroMethanesulfonanilide

  • Product code: SSC-158711
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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 51765-76-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51765-76-5 / N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide

Standard CAS: 51765-76-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51765-76-5
Multi CAS
No
Molecular Formula
C14H14N2O6S
Molecular Weight
338.340000
Exact Mass
338.057257
InChI
InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3
InChIKey
OBTVYILXIRNVAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.63
TPSA
107.77

LogP / Solubility

WLOGP
2.77
MLOGP
2.45
XLogP3
2.6
Consensus LogP
2.61
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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