CAS RN: 77541-60-7
5-CHLORO-4-ETHOXY-2-PHENYL-3(2H)-PYRIDAZINONE
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.20260421 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS77541-60-7
- Purity/Analytical Methods: >99.0%
77541-60-7 / 5-chloro-4-ethoxy-2-phenylpyridazin-3-one
Basic Information
CAS
77541-60-7
Multi CAS
No
Molecular Formula
C12H11CLN2O2
Molecular Weight
250.680000
Exact Mass
250.050905
InChI
InChI=1S/C12H11ClN2O2/c1-2-17-11-10(13)8-14-15(12(11)16)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
NYUIZJNUHDKUHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
66.01
TPSA
44.12
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
2.4
Consensus LogP
2.23
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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