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CAS 27398-50-1 6-BROMO-2-PHENYL-1H-QUINAZOLIN-4-ONE molecular structure lightbox
CAS RN: 27398-50-1

6-BROMO-2-PHENYL-1H-QUINAZOLIN-4-ONE

  • Product code: SSC-126606
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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 27398-50-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

27398-50-1 / 6-bromo-2-phenyl-3H-quinazolin-4-one

Standard CAS: 27398-50-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27398-50-1
Multi CAS
Yes
Molecular Formula
BC14H9ORn2
Molecular Weight
301.140000
Exact Mass
299.989830
InChI
InChI=1S/C14H9BrN2O/c15-10-6-7-12-11(8-10)14(18)17-13(16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChIKey
NXSZVAPNPHKIKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.5
TPSA
45.75

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3
Consensus LogP
3.1
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

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

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