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CAS 8047-99-2 N-Ethyl-o/p-toluenesulfonamide molecular structure lightbox
CAS RN: 8047-99-2

N-Ethyl-o/p-toluenesulfonamide

  • Product code: SSC-189299
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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: 500g
  • 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 8047-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shenzhen Inquiry

8047-99-2 / N-ethyl-4-methylbenzenesulfonamide

Standard CAS: 8047-99-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
8047-99-2
Multi CAS
Yes
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
InChI
InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKey
OHPZPBNDOVQJMH-UHFFFAOYSA-N

Physical Properties

Melting Point
147 °F (NTP, 1992)
Physical Description
Platelets (from dilute alcohol or ligroin) or off-white solid. (NTP, 1992) Liquid Solid; [CAMEO]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.04
TPSA
46.17

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.02

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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