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CAS 338794-16-4 7-CHLORO-2-METHYL-3-(5-METHYL-2-PYRIDINYL)-4(3H)-QUINAZOLINONE molecular structure lightbox
CAS RN: 338794-16-4

7-CHLORO-2-METHYL-3-(5-METHYL-2-PYRIDINYL)-4(3H)-QUINAZOLINONE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS338794-16-4
  • Purity/Analytical Methods: >99.0%
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338794-16-4 / 7-chloro-2-methyl-3-(5-methyl-2-pyridinyl)quinazolin-4-one

Standard CAS: 338794-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
338794-16-4
Multi CAS
No
Molecular Formula
C15H12CLN3O
Molecular Weight
285.730000
Exact Mass
285.066890
InChI
InChI=1S/C15H12ClN3O/c1-9-3-6-14(17-8-9)19-10(2)18-13-7-11(16)4-5-12(13)15(19)20/h3-8H,1-2H3
InChIKey
MPQAVRHKIFPQKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
79.62
TPSA
47.78

LogP / Solubility

WLOGP
3.05
MLOGP
2.7
XLogP3
2.7
Consensus LogP
2.82
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
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)
-2.3

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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