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CAS 64820-57-1 6-BROMO-2-CHLORO-4-PHENYLQUINAZOLINE molecular structure lightbox
CAS RN: 64820-57-1

6-BROMO-2-CHLORO-4-PHENYLQUINAZOLINE

  • Product code: SSC-174488
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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 64820-57-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

64820-57-1 / 6-bromo-2-chloro-4-phenylquinazoline

Standard CAS: 64820-57-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64820-57-1
Multi CAS
No
Molecular Formula
C14H8BRCLN2
Molecular Weight
319.580000
Exact Mass
317.955940
InChI
InChI=1S/C14H8BrClN2/c15-10-6-7-12-11(8-10)13(18-14(16)17-12)9-4-2-1-3-5-9/h1-8H
InChIKey
XHAZRLJQCFZAAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
77.68
TPSA
25.78

LogP / Solubility

WLOGP
4.71
MLOGP
4.16
XLogP3
5
Consensus LogP
4.62
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.32

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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