![CAS 88820-50-2 4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE, 7-CHLORO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/88820-50-2.gif)
CAS RN: 88820-50-2
4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE, 7-CHLORO-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS88820-50-2
- Purity/Analytical Methods: >99.0%
88820-50-2 / 7-chloropyrimido[1,2-b]pyridazin-4-one
Basic Information
CAS
88820-50-2
Multi CAS
No
Molecular Formula
C7H4CLN3O
Molecular Weight
181.580000
Exact Mass
181.004290
InChI
InChI=1S/C7H4ClN3O/c8-5-1-2-6-9-4-3-7(12)11(6)10-5/h1-4H
InChIKey
MPKXVJMKKYHTIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
Molar refractivity
44.27
TPSA
47.26
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.3
Consensus LogP
0.56
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
3-AMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE
- CAS RN: 88831-43-0
- Product Code: starshine_CAS88831-43-0
- Purity/Analytical method: >99.0%
-
-
PIRIPROST POTASSIUM SALT
- CAS RN: 88851-62-1
- Product Code: starshine_CAS88851-62-1
- Purity/Analytical method: >99.0%
-
Sprengerinin C
- CAS RN: 88861-91-0
- Product Code: starshine_CAS88861-91-0
- Purity/Analytical method: >99.0%
