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CAS 329190-48-9 2-ethyl-3-(4-fluorophenyl)quinazolin-4(3H)-one molecular structure lightbox
CAS RN: 329190-48-9

2-ethyl-3-(4-fluorophenyl)quinazolin-4(3H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS329190-48-9
  • Purity/Analytical Methods: >99.0%
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329190-48-9 / 2-ethyl-3-(4-fluorophenyl)quinazolin-4-one

Standard CAS: 329190-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
329190-48-9
Multi CAS
No
Molecular Formula
C16FH13N2O
Molecular Weight
268.280000
Exact Mass
268.101191
InChI
InChI=1S/C16H13FN2O/c1-2-15-18-14-6-4-3-5-13(14)16(20)19(15)12-9-7-11(17)8-10-12/h3-10H,2H2,1H3
InChIKey
BODVTRLJJYPOGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
76.68
TPSA
34.89

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
2.7
Consensus LogP
2.84
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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