CAS RN: 88598-33-8
Nicorandil Impurity 2
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.20260519 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS88598-33-8
- Purity/Analytical Methods: >99.0%
88598-33-8 / 2-aminoethyl pyridine-3-carboxylate;nitric acid
Basic Information
CAS
88598-33-8
Multi CAS
No
Molecular Formula
C8H11N3O5
Molecular Weight
229.190000
Exact Mass
229.069870
InChI
InChI=1S/C8H10N2O2.HNO3/c9-3-5-12-8(11)7-2-1-4-10-6-7;2-1(3)4/h1-2,4,6H,3,5,9H2;(H,2,3,4)
InChIKey
HRKJKUHKKJQEDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
52.35
TPSA
128.58
LogP / Solubility
WLOGP
-0.15
MLOGP
-0.13
XLogP3
-0.15
Consensus LogP
-0.14
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-4.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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