Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >95%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 1 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 10g | -- | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 1 In Stock | Beijing | Inquiry |
| 25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 1 In Stock | Shenzhen | Inquiry |
134896-35-8 / 3-nitro-2-phenylpyridine
Basic Information
CAS
134896-35-8
Multi CAS
No
Molecular Formula
C11H8N2O2
Molecular Weight
200.190000
Exact Mass
200.058578
SMILES
C1=CC=C(C=C1)C2=C(C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C11H8N2O2/c14-13(15)10-7-4-8-12-11(10)9-5-2-1-3-6-9/h1-8H
InChIKey
GEALTJGFPPNOJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
56.33
TPSA
56.03
LogP / Solubility
WLOGP
2.66
MLOGP
2.34
XLogP3
2.3
Consensus LogP
2.43
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
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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