![CAS 16156-94-8 2-[2-(2-Methyl-5-nitroiMidazol-1-yl)ethoxy]ethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16156-94-8.gif)
CAS RN: 16156-94-8
2-[2-(2-Methyl-5-nitroiMidazol-1-yl)ethoxy]ethanol
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.20250514 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS16156-94-8
- Purity/Analytical Methods: >99.0%
16156-94-8 / 2-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]ethanol
Basic Information
CAS
16156-94-8
Multi CAS
No
Molecular Formula
C8H13N3O4
Molecular Weight
215.210000
Exact Mass
215.090606
SMILES
CC1=NC=C(N1CCOCCO)[N+](=O)[O-]
InChI
InChI=1S/C8H13N3O4/c1-7-9-6-8(11(13)14)10(7)2-4-15-5-3-12/h6,12H,2-5H2,1H3
InChIKey
UGPDZGBXWBKFMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
51.52
TPSA
90.42
LogP / Solubility
WLOGP
0.11
MLOGP
0.1
XLogP3
-0.5
Consensus LogP
-0.1
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.96
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
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501
Customers Also Viewed
-
-
Benzo[1,2-d:4,5-d]bisthiazole-2,6-diamine (9CI)
- CAS RN: 16162-28-0
- Product Code: SSC-069225
-
-
-
1H-Pyrrole-2-carboxaldehyde, 4-acetyl- (9CI)
- CAS RN: 16168-92-6
- Product Code: starshine_CAS16168-92-6
- Purity/Analytical method: >99.0%
-
![CAS 16162-28-0 Benzo[1,2-d:4,5-d]bisthiazole-2,6-diamine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16162-28-0.gif)
