CAS RN: 77541-59-4
5-chloro-4-methoxy-2-methyl-2H-pyridazin-3-one
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.20250528 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS77541-59-4
- Purity/Analytical Methods: >99.0%
77541-59-4 / 5-chloro-4-methoxy-2-methylpyridazin-3-one
Basic Information
CAS
77541-59-4
Multi CAS
No
Molecular Formula
C6H7CLN2O2
Molecular Weight
174.580000
Exact Mass
174.019605
InChI
InChI=1S/C6H7ClN2O2/c1-9-6(10)5(11-2)4(7)3-8-9/h3H,1-2H3
InChIKey
SHBSESXHPZTKTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
41.04
TPSA
44.12
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
0.5
Consensus LogP
0.44
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
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)
-3.47
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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