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CAS 73-49-4 QUINETHAZONE (1.5 G) molecular structure lightbox
CAS RN: 73-49-4

QUINETHAZONE (1.5 G)

  • Product code: SSC-182448
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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: 0.5g
  • 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 73-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.5g ≥95% 0 Out of Stock Shanghai Inquiry

73-49-4 / 7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide

Standard CAS: 73-49-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
73-49-4
Multi CAS
Yes
Molecular Formula
C10H12CLN3O3S
Molecular Weight
289.740000
Exact Mass
289.028790
InChI
InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
InChIKey
AGMMTXLNIQSRCG-UHFFFAOYSA-N

Physical Properties

Melting Point
482 to 486 °F (NTP, 1992) 250-252 °C 251 °C
Physical Description
Fibrous crystals or white powder. (NTP, 1992) Solid
Appearance
Fibrous crystals from 50% acetone WHITE TO YELLOWISH WHITE, CRYSTALLINE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
67.99
TPSA
101.29

LogP / Solubility

WLOGP
0.88
MLOGP
0.78
XLogP3
1.2
Consensus LogP
0.95
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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