![CAS 141534-26-1 2-[(4-formylbenzoyl)amino]ethyl nitrate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/141534-26-1.gif)
CAS RN: 141534-26-1
2-[(4-formylbenzoyl)amino]ethyl nitrate
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.20250314 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS141534-26-1
- Purity/Analytical Methods: >99.0%
141534-26-1 / 2-[(4-formylbenzoyl)amino]ethyl nitrate
Basic Information
CAS
141534-26-1
Multi CAS
No
Molecular Formula
C10H10N2O5
Molecular Weight
238.200000
Exact Mass
238.058971
SMILES
C1=CC(=CC=C1C=O)C(=O)NCCO[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O5/c13-7-8-1-3-9(4-2-8)10(14)11-5-6-17-12(15)16/h1-4,7H,5-6H2,(H,11,14)
InChIKey
MEAJXPIXWKHNPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.11
TPSA
98.54
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
0.9
Consensus LogP
0.58
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately 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)
-3.86
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
Customers Also Viewed
-
3,3-Dimethylallylboronic acid pinacol ester, 2-(3-Methyl-but-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 141550-13-2
- Product Code: SSC-051882
-
-
-
-
-
