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CAS 1353000-30-2 2-(3-bromophenyl)quinazoline molecular structure lightbox
CAS RN: 1353000-30-2

2-(3-bromophenyl)quinazoline

  • Product code: SSC-043477
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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 1353000-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1353000-30-2 / 2-(3-bromophenyl)quinazoline

Standard CAS: 1353000-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353000-30-2
Multi CAS
No
Molecular Formula
C14H9BrN2
Molecular Weight
285.140000
Exact Mass
283.994910
SMILES
C1=CC=C2C(=C1)C=NC(=N2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C14H9BrN2/c15-12-6-3-5-10(8-12)14-16-9-11-4-1-2-7-13(11)17-14/h1-9H
InChIKey
PVJCZGCZYIBYHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.67
TPSA
25.78

LogP / Solubility

WLOGP
4.06
MLOGP
3.58
XLogP3
3.9
Consensus LogP
3.85
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

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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