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CAS 80195-33-1 4(3H)-Quinazolinone, 2-chloro-6-nitro- molecular structure lightbox
CAS RN: 80195-33-1

4(3H)-Quinazolinone, 2-chloro-6-nitro-

  • Product code: SSC-189145
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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 80195-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

80195-33-1 / 2-chloro-6-nitro-4aH-quinazolin-4-one

Standard CAS: 80195-33-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80195-33-1
Multi CAS
Yes
Molecular Formula
C8H4CLN3O3
Molecular Weight
225.590000
Exact Mass
224.994119
InChI
InChI=1S/C8H4ClN3O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3,5H
InChIKey
TWWLRXLOIVTOHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
53.44
TPSA
84.93

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
1.4
Consensus LogP
1.04
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
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)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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