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CAS 864293-45-8 6-Bromo-8-methoxyquinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 864293-45-8

6-Bromo-8-methoxyquinazoline-2,4(1H,3H)-dione

  • Product code: SSC-195478
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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 864293-45-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

864293-45-8 / 6-bromo-8-methoxy-1H-quinazoline-2,4-dione

Standard CAS: 864293-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
864293-45-8
Multi CAS
No
Molecular Formula
BC9H7O3Rn2
Molecular Weight
271.070000
Exact Mass
269.964000
InChI
InChI=1S/C9H7BrN2O3/c1-15-6-3-4(10)2-5-7(6)11-9(14)12-8(5)13/h2-3H,1H3,(H2,11,12,13,14)
InChIKey
ZDPALDYMJJQTGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.44
TPSA
74.95

LogP / Solubility

WLOGP
0.99
MLOGP
0.88
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

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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