CAS RN: 1620569-20-1
2-(2-(Propan-2-ylidene)hydrazinyl)isonicotinic acid
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.20250102 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1620569-20-1
- Purity/Analytical Methods: >99.0%
1620569-20-1 / 2-(2-propan-2-ylidenehydrazinyl)pyridine-4-carboxylic acid
Basic Information
CAS
1620569-20-1
Multi CAS
No
Molecular Formula
C9H11N3O2
Molecular Weight
193.200000
Exact Mass
193.085127
SMILES
CC(=NNC1=NC=CC(=C1)C(=O)O)C
InChI
InChI=1S/C9H11N3O2/c1-6(2)11-12-8-5-7(9(13)14)3-4-10-8/h3-5H,1-2H3,(H,10,12)(H,13,14)
InChIKey
LFMMLZUHQYAYHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.6
TPSA
74.58
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
0.9
Consensus LogP
1.3
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-2.77
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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