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CAS 963-34-8 6-amino-2-methyl-3-(2-methylphenyl)quinazolin-4-one molecular structure lightbox
CAS RN: 963-34-8

6-amino-2-methyl-3-(2-methylphenyl)quinazolin-4-one

  • Product code: SSC-211954
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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 963-34-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

963-34-8 / 6-amino-2-methyl-3-(2-methylphenyl)quinazolin-4-one

Standard CAS: 963-34-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
963-34-8
Multi CAS
No
Molecular Formula
C16H15N3O
Molecular Weight
265.310000
Exact Mass
265.121512
InChI
InChI=1S/C16H15N3O/c1-10-5-3-4-6-15(10)19-11(2)18-14-8-7-12(17)9-13(14)16(19)20/h3-9H,17H2,1-2H3
InChIKey
GOZTWIXHTIBOHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
81.23
TPSA
60.91

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
1.8
Consensus LogP
2.22
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

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
1.5

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