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CAS 71478-56-3 8-BROMO-2,6-DIMETHYL-3H-QUINAZOLIN-4-ONE molecular structure lightbox
CAS RN: 71478-56-3

8-BROMO-2,6-DIMETHYL-3H-QUINAZOLIN-4-ONE

  • Product code: SSC-181057
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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 71478-56-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

71478-56-3 / 8-bromo-2-methyl-3,1-benzoxazin-4-one

Standard CAS: 71478-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71478-56-3
Multi CAS
Yes
Molecular Formula
BC9H6O2Rn
Molecular Weight
240.050000
Exact Mass
238.958190
InChI
InChI=1S/C9H6BrNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-4H,1H3
InChIKey
ZYTKLLWRKKBQBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
52.72
TPSA
43.1

LogP / Solubility

WLOGP
2.26
MLOGP
1.99
XLogP3
2
Consensus LogP
2.08
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

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

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