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CAS 2514-18-3 3(2H)-Pyridazinone,4-chloro-5-methoxy-2-phenyl- molecular structure lightbox
CAS RN: 2514-18-3

3(2H)-Pyridazinone,4-chloro-5-methoxy-2-phenyl-

  • Product code: SSC-120741
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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 2514-18-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2514-18-3 / 4-chloro-5-methoxy-2-phenylpyridazin-3-one

Standard CAS: 2514-18-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2514-18-3
Multi CAS
No
Molecular Formula
C11H9ClN2O2
Molecular Weight
236.650000
Exact Mass
236.035255
SMILES
COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-16-9-7-13-14(11(15)10(9)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
RSTBYGMJEKPLBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
61.4
TPSA
44.12

LogP / Solubility

WLOGP
1.89
MLOGP
1.67
XLogP3
1.4
Consensus LogP
1.65
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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