CAS RN: 57658-96-5
3-Pyridazinecarbonyl chloride, 1,6-dihydro-6-oxo- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251205 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57658-96-5
- Purity/Analytical Methods: >99.0%
57658-96-5 / 6-oxo-1H-pyridazine-3-carbonyl chloride
Basic Information
CAS
57658-96-5
Multi CAS
No
Molecular Formula
C5H3CLN2O2
Molecular Weight
158.540000
Exact Mass
157.988305
InChI
InChI=1S/C5H3ClN2O2/c6-5(10)3-1-2-4(9)8-7-3/h1-2H,(H,8,9)
InChIKey
FRROQKJGDKYZDE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.04
TPSA
62.82
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
0.2
Consensus LogP
0.16
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very 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)
-3.58
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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