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CAS 1114563-59-5 6-Chloro-2,5-diMethylpyridazin-3(2H)-one molecular structure lightbox
CAS RN: 1114563-59-5

6-Chloro-2,5-diMethylpyridazin-3(2H)-one

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 100mg In stock Shanghai Inquiry
Batchno.20250623 1g In stock Shanghai Inquiry
Batchno.20260103 250mg In stock Shanghai Inquiry
  • Product code: SSC-012167
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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: ＞97%
  • 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 1114563-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1114563-59-5 / 6-chloro-2,5-dimethylpyridazin-3-one

6-Chloro-2,5-dimethylpyridazin-3(2H)-one | MFCD27923628 | 6-CHLORO-2,5-DIMETHYLPYRIDAZIN-3-ONE

Standard CAS: 1114563-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1114563-59-5
Multi CAS
No
Molecular Formula
C6H7ClN2O
Molecular Weight
158.580000
Exact Mass
158.024691
SMILES
CC1=CC(=O)N(N=C1Cl)C
InChI
InChI=1S/C6H7ClN2O/c1-4-3-5(10)9(2)8-6(4)7/h3H,1-2H3
InChIKey
ROTULOMPEFVIJR-UHFFFAOYSA-N
Synonyms
6-Chloro-2,5-dimethylpyridazin-3(2H)-one MFCD27923628 6-CHLORO-2,5-DIMETHYLPYRIDAZIN-3-ONE 6-chloro-2,5-dimethyl-2,3-dihydropyridazin-3-one SCHEMBL958525

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
Molar refractivity
39.23
TPSA
34.89

LogP / Solubility

WLOGP
0.74
MLOGP
0.65
XLogP3
0.9
Consensus LogP
0.76
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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