CAS RN: 31594-45-3
2-Ethoxy-5-nitropyridine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-137007
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
31594-45-3 / 2-ethoxy-5-nitropyridine
Basic Information
CAS
31594-45-3
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-2-12-7-4-3-6(5-8-7)9(10)11/h3-5H,2H2,1H3
InChIKey
LYDVDLYMQVSLQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.06
TPSA
65.26
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
1.9
Consensus LogP
1.5
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
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
![CAS 22568-11-2 3-[(E)-2-Nitroethenyl]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/n0609-jpgcontextbwfzdgvyfhjvb3r8mjg0nzz8aw1hz2uvanblz3xoyjmvadaylzg5mze3mjy4ntixmjyvtja2mdkuanbnfgm1zjq2mzlknmq2ywq0mdvlyzk4nddmymu0owy2yzzkyzg1otcwngixmdriotk5njrkmjy2mtiwzjdlztc3mdy.jpeg)
