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CAS 58754-95-3 N-(2,2-Dimethoxyethyl)-4-methylbenzenesulfonamide molecular structure lightbox
CAS RN: 58754-95-3

N-(2,2-Dimethoxyethyl)-4-methylbenzenesulfonamide

  • Product code: SSC-167077
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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 58754-95-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

58754-95-3 / N-(2,2-dimethoxyethyl)-4-methylbenzenesulfonamide

Standard CAS: 58754-95-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58754-95-3
Multi CAS
No
Molecular Formula
C11H17NO4S
Molecular Weight
259.320000
Exact Mass
259.087829
InChI
InChI=1S/C11H17NO4S/c1-9-4-6-10(7-5-9)17(13,14)12-8-11(15-2)16-3/h4-7,11-12H,8H2,1-3H3
InChIKey
YSQNRFLBFRHJBP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.17
TPSA
64.63

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
1.1
Consensus LogP
0.93
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.67

Drug-likeness / Medicinal Chemistry

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

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