CAS RN: 71311-82-5
2-(4-Nitrophenoxy)naphthalene
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-180950
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
- Available purity: >98%
- Inventory rows with stock: 3
- 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.
71311-82-5 / 2-(4-nitrophenoxy)naphthalene
Basic Information
CAS
71311-82-5
Multi CAS
Yes
Molecular Formula
C16H11NO3
Molecular Weight
265.260000
Exact Mass
265.073893
InChI
InChI=1S/C16H11NO3/c18-17(19)14-6-9-15(10-7-14)20-16-8-5-12-3-1-2-4-13(12)11-16/h1-11H
InChIKey
ORYXOTYJSALBQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
77.12
TPSA
52.37
LogP / Solubility
WLOGP
4.54
MLOGP
4
XLogP3
4.8
Consensus LogP
4.45
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
