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CAS 101328-85-2 (R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone molecular structure lightbox
CAS RN: 101328-85-2

(R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

Product Availability

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7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250610 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 100mg In stock Shanghai Inquiry
Batchno.20260621 10g In stock Shanghai Inquiry
Batchno.20251222 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260620 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20251029 25g In stock Shanghai Inquiry
Batchno.20251022 5g In stock Shanghai Inquiry
  • Product code: SSC-002173
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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 101328-85-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

101328-85-2 / (4R)-3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Ici 109,081 | RefChem:539373 | 6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one

Standard CAS: 101328-85-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101328-85-2
Multi CAS
Yes
Molecular Formula
C11H13N3O
Molecular Weight
203.240000
Exact Mass
203.105862
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)/t7-/m1/s1
InChIKey
GDMRFHZLKNYRRO-SSDOTTSWSA-N
Synonyms
Ici 109,081 RefChem:539373 6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.32
TPSA
67.48

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.8
Consensus LogP
0.97
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
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)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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