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CAS 4543-58-2 Benzenesulfonamide, 2,4,6-trimethyl- (9CI) molecular structure lightbox
CAS RN: 4543-58-2

Benzenesulfonamide, 2,4,6-trimethyl- (9CI)

  • Product code: SSC-153166
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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: 25g
  • 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 4543-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

4543-58-2 / 2,4,6-trimethylbenzenesulfonamide

Standard CAS: 4543-58-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4543-58-2
Multi CAS
Yes
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
InChI
InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
YECJUZIGFPJWGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.03
TPSA
60.16

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.6
Consensus LogP
1.32
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.04

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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