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CAS 79472-17-6 3-Chloro-6-pyridin-4-yl-pyridazine molecular structure lightbox
CAS RN: 79472-17-6

3-Chloro-6-pyridin-4-yl-pyridazine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260315 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS79472-17-6
  • Purity/Analytical Methods: >99.0%
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79472-17-6 / 3-chloro-6-pyridin-4-ylpyridazine

Standard CAS: 79472-17-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79472-17-6
Multi CAS
No
Molecular Formula
C9H6CLN3
Molecular Weight
191.620000
Exact Mass
191.025025
InChI
InChI=1S/C9H6ClN3/c10-9-2-1-8(12-13-9)7-3-5-11-6-4-7/h1-6H
InChIKey
ZFKNPROCZUOLMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
50.27
TPSA
38.67

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
1.4
Consensus LogP
1.84
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.33

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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