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CAS 111786-07-3 Prinoxodan molecular structure lightbox
CAS RN: 111786-07-3

Prinoxodan

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Batchno.20260609 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS111786-07-3
  • Purity/Analytical Methods: >99.0%
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111786-07-3 / 3-methyl-6-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1,4-dihydroquinazolin-2-one

PRINOXODAN | Prinoxodano | Prinoxodanum

Standard CAS: 111786-07-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
111786-07-3
Multi CAS
Yes
Molecular Formula
C13H14N4O2
Molecular Weight
258.280000
Exact Mass
258.111676
SMILES
CN1CC2=C(C=CC(=C2)C3=NNC(=O)CC3)NC1=O
InChI
InChI=1S/C13H14N4O2/c1-17-7-9-6-8(2-3-10(9)14-13(17)19)11-4-5-12(18)16-15-11/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,16,18)
InChIKey
SUCNEHPNQBBVHQ-UHFFFAOYSA-N
Synonyms
PRINOXODAN Prinoxodano Prinoxodanum RGW-2938 RGW 2938

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.84
TPSA
73.8

LogP / Solubility

WLOGP
1.28
MLOGP
1.13
XLogP3
-0.3
Consensus LogP
0.7
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

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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