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CAS 371947-93-2 3-(4-Oxo-3,4-dihydroquinazolin-2-yl)phenyl acetate molecular structure lightbox
CAS RN: 371947-93-2

3-(4-Oxo-3,4-dihydroquinazolin-2-yl)phenyl acetate

  • Product code: SSC-144520
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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 371947-93-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

371947-93-2 / [3-(4-oxo-4aH-quinazolin-2-yl)phenyl] acetate

Standard CAS: 371947-93-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
371947-93-2
Multi CAS
Yes
Molecular Formula
C16H12N2O3
Molecular Weight
280.280000
Exact Mass
280.084792
InChI
InChI=1S/C16H12N2O3/c1-10(19)21-12-6-4-5-11(9-12)15-17-14-8-3-2-7-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20)
InChIKey
RAPQKVQJRFXKQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
78.5
TPSA
68.09

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
2.2
Consensus LogP
2.04
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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