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CAS 220246-81-1 (R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone molecular structure lightbox
CAS RN: 220246-81-1

(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS220246-81-1
  • Purity/Analytical Methods: >99.0%
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220246-81-1 / N-[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide

Standard CAS: 220246-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220246-81-1
Multi CAS
No
Molecular Formula
C13H15N3O2
Molecular Weight
245.280000
Exact Mass
245.116427
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKey
GDZXNMWZXLDEKG-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.21
TPSA
70.56

LogP / Solubility

WLOGP
1.51
MLOGP
1.33
XLogP3
0.7
Consensus LogP
1.18
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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