CAS RN: 2216-21-9
(2-HydroxyMethyl-4-nitro-phenyl)-Methanol
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.20250814 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-106587
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: 0.1g, 1g, 5g, 0.25g
- Available purity: >98%
- Inventory rows with stock: 4
- 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.
2216-21-9 / 1-nitrononane
Basic Information
CAS
2216-21-9
Multi CAS
No
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
SMILES
CCCCCCCCC[N+](=O)[O-]
InChI
InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3
InChIKey
DAIRUATTZJOIQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
49.85
TPSA
43.14
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
4.3
Consensus LogP
3.32
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.64
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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