CAS RN: 802021-93-8
4-Aminomethyl-6-methyl-pyridazin-3-ol
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.20260420 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS802021-93-8
- Purity/Analytical Methods: >99.0%
802021-93-8 / 5-(aminomethyl)-3-methyl-1H-pyridazin-6-one
Basic Information
CAS
802021-93-8
Multi CAS
No
Molecular Formula
C6H9N3O
Molecular Weight
139.160000
Exact Mass
139.074562
InChI
InChI=1S/C6H9N3O/c1-4-2-5(3-7)6(10)9-8-4/h2H,3,7H2,1H3,(H,9,10)
InChIKey
RUDUECHLUUQPFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
37.49
TPSA
71.77
LogP / Solubility
WLOGP
-0.46
MLOGP
-0.41
XLogP3
-1
Consensus LogP
-0.62
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.9
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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