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CAS 499770-82-0 3-Pyridazinecarbonyl chloride molecular structure lightbox
CAS RN: 499770-82-0

3-Pyridazinecarbonyl chloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: LINP907218
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499770-82-0 / pyridazine-3-carbonyl chloride

Standard CAS: 499770-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499770-82-0
Multi CAS
No
Molecular Formula
C5H3CLN2O
Molecular Weight
142.540000
Exact Mass
141.993390
InChI
InChI=1S/C5H3ClN2O/c6-5(9)4-2-1-3-7-8-4/h1-3H
InChIKey
IQSQSSQXPUBICC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.22
TPSA
42.85

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.9
Consensus LogP
0.84
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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