CAS RN: 842143-89-9
4-(CYCLOPROPYLMETHYLAMINO)-3-NITROPYRIDINE
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.20250625 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS842143-89-9
- Purity/Analytical Methods: >99.0%
842143-89-9 / N-(cyclopropylmethyl)-3-nitropyridin-4-amine
Basic Information
CAS
842143-89-9
Multi CAS
No
Molecular Formula
C9H11N3O2
Molecular Weight
193.200000
Exact Mass
193.085127
InChI
InChI=1S/C9H11N3O2/c13-12(14)9-6-10-4-3-8(9)11-5-7-1-2-7/h3-4,6-7H,1-2,5H2,(H,10,11)
InChIKey
OYGSYNARICHCKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.11
TPSA
68.06
LogP / Solubility
WLOGP
1.81
MLOGP
1.59
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.61
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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