CAS RN: 538372-32-6
2-Pyridinecarboxylicacid,6-amino-5-nitro-,methylester(9CI)
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.20260614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS538372-32-6
- Purity/Analytical Methods: >99.0%
538372-32-6 / methyl 6-amino-5-nitropyridine-2-carboxylate
Basic Information
CAS
538372-32-6
Multi CAS
No
Molecular Formula
C7H7N3O4
Molecular Weight
197.150000
Exact Mass
197.043656
InChI
InChI=1S/C7H7N3O4/c1-14-7(11)4-2-3-5(10(12)13)6(8)9-4/h2-3H,1H3,(H2,8,9)
InChIKey
KHLJLFCKRIFGCE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
46.64
TPSA
108.35
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
1.1
Consensus LogP
0.59
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
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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