![CAS 321680-43-7 Ethanol, 2-[(5-nitro-2-pyrimidinyl)oxy]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/321680-43-7.gif)
CAS RN: 321680-43-7
Ethanol, 2-[(5-nitro-2-pyrimidinyl)oxy]- (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.20250601 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS321680-43-7
- Purity/Analytical Methods: >99.0%
321680-43-7 / 2-(5-nitropyrimidin-2-yl)oxyethanol
Basic Information
CAS
321680-43-7
Multi CAS
No
Molecular Formula
C6H7N3O4
Molecular Weight
185.140000
Exact Mass
185.043656
InChI
InChI=1S/C6H7N3O4/c10-1-2-13-6-7-3-5(4-8-6)9(11)12/h3-4,10H,1-2H2
InChIKey
LYLYZFQERFUWIO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
41.27
TPSA
98.38
LogP / Solubility
WLOGP
-0.24
MLOGP
-0.22
XLogP3
-0.3
Consensus LogP
-0.25
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
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)
-4.02
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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