CAS RN: 65141-47-1
N-(2-Hydroxyethyl)isonicotinamide nitric ester, BP Reference Standard
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.20260319 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN922753
65141-47-1 / 2-(pyridine-4-carbonylamino)ethyl nitrate
Basic Information
CAS
65141-47-1
Multi CAS
No
Molecular Formula
C8H9N3O4
Molecular Weight
211.170000
Exact Mass
211.059306
InChI
InChI=1S/C8H9N3O4/c12-8(7-1-3-9-4-2-7)10-5-6-15-11(13)14/h1-4H,5-6H2,(H,10,12)
InChIKey
VZCYAIHIDPPQHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.52
TPSA
94.36
LogP / Solubility
WLOGP
0.02
MLOGP
0.02
XLogP3
0.4
Consensus LogP
0.15
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.99
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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